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  • 1980-1984
  • 1975-1979  (516)
  • 1975  (516)
  • Analytical Chemistry and Spectroscopy  (516)
  • Nuclear reactions
  • 1
    Electronic Resource
    Electronic Resource
    Masthead (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975) 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070101
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  • 2
    Electronic Resource
    Electronic Resource
    Editorial (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 1-1 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070102
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  • 3
    Electronic Resource
    Electronic Resource
    13C RMN: Non-équivalences d'ammoniums quaternaires diastéréoisoméres (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 18-22 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: 13C magnetic resonance spectra of six diastereomeric mixtures of quaternary ammonium salts were investigated. Assignment of the signals of the non-aromatic carbons and measurement of the non-equivalences allowed the determination of the ratio of isomers in the mixtures. A deshielding β effect and a shielding γ effect for the quaternisation were pointed out.
    Notes: Les spectres de 13C de six couples d'ammoniums quaternaires ont été étudiés. L'attribution des signaux des carbones non-aromatiques et la détermination des non-équivalences ont conduit au dosage des diastéréoisomères ainsi qu'à la mise en évidence d'un effect β déblindant et γ blindant lors de la quaternarisation.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070104
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  • 4
    Electronic Resource
    Electronic Resource
    Theoretical and empirical calculations of the carbon chemical shift in terms of the electronic distribution in molecules (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 2-17 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The principles of the theoretical calculations of the carbon atom screening constant are reviewed. The Independent Electron, SCF—MO and Valence Bond formulae are briefly discussed, and the relative importance of the different terms involved in an approximate decomposition of σ13C are pointed out. The variations of the excitation energy ΔE, the mean distance between the nucleus and 2p electrons, and the electronic charges and bond orders with the structure are presented. The nature of the steric effect is also explained. In a second part the various empirical correlations which make an evaluation of δ13C from structural and physical properties possible are shown. The actual substituent parameters of the main classes of compounds are listed and worked examples given to make the use of the tables easier. The correlations between δ13C and the electronic charge, electronegativity, Hammett-Taft constants, electric field effects, geometrical parameters, spectroscopic data (electronic transitions, screening of other nuclei) and pH are also discussed with a view to appraising the carbon screening.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070103
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  • 5
    Electronic Resource
    Electronic Resource
    13C—13C coupling constants and substituent effects on 13C chemical shifts in 13C labelled pyrene and pyrene derivatives (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 23-25 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Long range inter-ring 13C—13C couplings are found to be effective in the title compounds, and the magnitudes of coupling constants and of substituent effects on 13C chemical shifts, as well as the signs of the latter, alternate with respect to the number of connecting bonds.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070105
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  • 6
    Electronic Resource
    Electronic Resource
    composés cycliques à six chaǐnons (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 26-30 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Various calculation methods are proposed for the determination of the torsional angle of the C—C bond in 6-membered cyclic compounds. Comparison with X-ray measurements shows that they give the correct order of magnitude for this angle. The limitations of these methods are shown.
    Notes: Diverses méthodes de calcul sont proposées pour calculer l'angle de torsion de la liaison C—C dans les composés cycliques à six chaǐnons. Elles fournissent un ordre de grandeur correct de cet angle par comparaison avec les mesures aux rayons X. La limite de cette détermination est montrée.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070106
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  • 7
    Electronic Resource
    Electronic Resource
    Spectres RMN et analyse conformationnelle de germa-4 dioxannes-1,3 (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 31-32 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Methods for the calculation of the torsional angle of the C—C linkageVoir Réf. 1. are applied to some 4-germa-1,3-dioxanes. It is thereby shown that 4,4-diethyl-2trichloromethyl-4-germa-1,3-dioxane in CCl 4 and C 6 D 6 adopts the chair conformation, with the equatorial C—Cl 3 group distorted by the presence of the germanium: the torsional angle of the Ge-CH 2-CH 2-O-fragment is 45°. The most stable 6-alkyl derivatives ( cis isomers) have the same conformation; the less stable trans- tert-butyl isomer prefers a skew-boat form compatible with a torsional angle of about 60°.
    Notes: Les méthodes de calcul de l'angle de torsion de la liaison C—C sont appliquées à quelques germa-4 dioxannes-1,3. On montre ainsi que le diéthyl-4,4 trichlorométhyl-2 germa-4 dioxanne-1,3 adopte dans CCl4 et C6D6 une conformation chaise à groupe C—Cl3 équatorial déformée par la présence du germanium: l'angle de torsion du fragment Ge—CH2—CH2—O est de 45°. Les dérivés alkylés en 6 les plus stables (isomères cis) existent dans la měme conformation, l'isomére tertiobutylé trans le moins stable préférant une forme croisée compatible avec un angle de torsion d'environ 60°.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070107
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  • 8
    Electronic Resource
    Electronic Resource
    The anion radical of azobispyridin N-oxide (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 33-34 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The anion radical of the fully aromatic di-N-oxide system of azobispyridine N-oxide was prepared and studied by ESR. Utilising computer simulation and CNDO computation the ESR spectrum was interpreted as follows: \documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{*{20}c} {{\rm a}_{\rm N}^{{\rm N} = {\rm N}} = 6 \cdot 93{\rm G};\quad{\rm a}_{\rm N}^{{\rm N} - 0} = 3 \cdot 95{\rm G};\quad{\rm a}_{{\rm H} - 3,5}^{{\rm CH}} = 1 \cdot 92{\rm G};} \\ {{\rm a}_{{\rm H} - 2,6}^{{\rm CH}} = 0 \cdot 61{\rm G}.} \\ \end{array} $$\end{document} Using appropriate equations the spin densities were calculated at \documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{*{20}c} \begin{array}{l}\\ \rho _{\rm N}^{{\rm N} = {\rm N}} = 0 \cdot 214;{\rm }\quad\rho _{\rm N}^{{\rm N} - {\rm 0}} = 0 \cdot 148;{\rm }\quad\rho _{{\rm C} - 3,5} = 0 \cdot 00800; \\ \end{array} \\ {\rho _{{\rm C} - 2,6} = 0 \cdot 0254.} \\ \end{array} $$\end{document} Ths semi-quinoidal nature of the radical suggests a possible use as a spin label.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070108
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  • 9
    Electronic Resource
    Electronic Resource
    Interactions intramoleculaires. XXIPartie XX: Réf. 1. - Constantes de couplage et interactions gauches avec un groupement t-butyle (molécules cyclohexaniques deutériées) (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 35-40 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Different isotopic modifications of deuterated products of 1-t-butlyl-4-methoxycarbonyl cyclohexene (d4-3,3,6,6), cis- and trans-3-methyl-4-cyanocyclohexene (d3-3,6,6), cis- and trans-3-methyl-4-cyanocyclohexene (d3,6,6), cis- and trans-3-t-butyl-4-methoxycarbonylcyclohexene (d3,-3,6,6) are shown by nuclear magnetic resonance spectral analysis. By comparison of 3J and 4J coupling constants of model molecules and molecules with large gauche interactions, we obtain proof that the latter are in a chair conformation with moderate cycle deformations.
    Notes: Une ou plusieurs modifications isotopiques sont mises en évidence par l'analyse des spectres RMN des produits de deutériation du t-butyl-1 méthoxycarbonyl-4 cyclohexène (d4-3,3,6,6), des méthyl-3 cyano-4 cyclohexène (d3-3,6,6) cis et trans, des t-butyl-3 méthoxycarbonyl-4 cyclohexènes (d3-3,6,6) cis et trans et des t-butyl-3 cyano-4 cyclohexènes (d3-3,6,6) cis et trans. D'après la comparaison des constantes de couplage 3J et 4 J des molécules modèles et des molécules à fortes interactions gauches, il est prouvé que ces dernières sont en conformation chaise avec des déformations de cycle relativement modérées.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070109
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  • 10
    Electronic Resource
    Electronic Resource
    Proximity effects in pyridines. Proton chemical shifts in substituted methyl pyridinecarboxylates (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 41-45 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ring and ester proton chemical shifts in six series of substituted methyl pyridinecarboxylates have been measured. Results for ring protons ortho and para to the substituent can generally be accounted for by additive substituent, ester and nitrogen effects. Shifts for protons meta to the substituent, when compared with analogous shifts in monosubstituted benzenes, provide evidence of substituent-nitrogen interactions. In particular, a special effect is noted for series where both the proton and substituent are adjacent to the nitrogen. The origin of this effect is discussed. The ester proton results lead to essentially the same conclusions. Although this probe is much less sensitive to substituent effects, the same special effect is evident for the methyl 6-X-picolinate series.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070110
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  • 11
    Electronic Resource
    Electronic Resource
    Carbon-13 NMR spectra of some polychlorinated telomerisation products (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 46-50 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The study of 28 specially selected compounds containing chlorine shows that 13C NMR signals of the CCl3, CCl3CH2 and CH2Cl groups are registered in the ranges of 93 to 105, 49 to 71 and 38 to 59 ppm (from TMS), respectively and are readily identified in 13C NMR spectra of polychloro compounds. The weak electron withdrawing ability of the CCl3CHCl and CH2Cl groups, as well as the extremely strong influence of CCl3 and CH2Cl groups on the methylene group between them in 1,1,1,3-tetrachloropropane, is noted.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070111
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  • 12
    Electronic Resource
    Electronic Resource
    Hindered rotation of the dimethylamino and dimethylthioamide groups in two ortho substituted N,N-dimethylthiobenzamides (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 54-56 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Hindered rotation in two o-substituted N,N-dimethylthiobenzamides was investigated by variable temperature 1H NMR spectroscopy. For one compound, the enthalpies and entropies of activation for (i) thioamide group rotation around the Ar—C bond and (ii) dimethylamino group rotation around the C—N bond were obtained by full line shape analysis; a possible coupling between the two processes is discussed. A new simple method has also been applied to the analysis of dimethylamino exchange and results are in complete agreement with the full line shape analysis with somewhat better precision.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070113
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  • 13
    Electronic Resource
    Electronic Resource
    Long range substituent effects relfected in the 13C NMR spectra of allyl alcohols and their derivativesCarbon-13 Nuclear Magnetic Resonance Spectroscopy of Naturally Occurring Substances - XXVI. For the preceding paper see K. F. Koch, J. A. Rhoades, E. W. Hagaman and E. Wenkert, J. Amer. Chem. Soc. 96, 3300 (1974). (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 51-53 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Acylation of allyl alcohols induces strong carbon shifts, shielding γ and deshielding δ effects. These shifts are a consequence of through-bond polarization of the olefinic carbons. Allyl ethers show similar, but milder perturbations. The olefinic carbon shifts reveal a strong concentration dependence. This effect, in greatly reduced form, is also observed in non-oxygenated alkenes. Hydrogen bonding by alcohols enhances the chemical shift difference in olefinic carbon pairs by increased polarization.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070112
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  • 14
    Electronic Resource
    Electronic Resource
    Carbon-13 nuclear magnetic resonance chemical shifts and 13C-199Hg coupling constants for symmetrical dialkylmercurials (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 57-58 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The carbon-13 chemical shifts and coupling constants (J[13C—199Hg]) have been determined for a series of eleven symmetrically substituted organomercurials. Empirical substituent parameters can be calculated which correlate observed and predicted chemical shifts for dialkylmercurials.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070114
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  • 15
    Electronic Resource
    Electronic Resource
    Forthcoming papers (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. A6 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070116
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  • 16
    Electronic Resource
    Electronic Resource
    ‘Anomalous’ 2J(Sn—H) coupling in mono- and dichloromethyltin compounds (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 59-60 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The linear relationship between the coupling constants 1J(Sn—13C) and 2J(Sn—H), observed for a number of organotin compounds, does not hold for coupling in the Sn—CHnCl3-n group of mono- and dichloromethyltin compounds. A complete determination of all NMR parameters of the compounds Me3Sn-CHnCl3-n (n = 0 to 3) shows no further anomalies, indicating that steric factors must be responsible for the unusually low values of 2J(Sn—H) in the SnCHnCl3-n group. Molecular weight measurements support this theory, showing that the chlorine-containing compounds are associated.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070115
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  • 17
    Electronic Resource
    Electronic Resource
    News and events (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. A7 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070117
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  • 18
    Electronic Resource
    Electronic Resource
    NMR basic principles and progress/grundlagen und fortschritte, edited by P. Diehl, E. Fluck and R. Kosfeld. vol. 8: Chemically induced dynamic nuclear and electron polarizations - CIDNP and CIDEP, by C. Richard and P. Granger, Springer-Verlag, Berlin, 1974. pp. 127. $23.70 DM 58.00 (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. A8 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070118
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  • 19
    Electronic Resource
    Electronic Resource
    Erratum (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. A8 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070119
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  • 20
    Electronic Resource
    Electronic Resource
    Masthead (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975) 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070201
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  • 21
    Electronic Resource
    Electronic Resource
    A NMR investigation of proline and its derivatives. II - Conformational implications of the 1H NMR spectrum of L-proline at different pH (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 61-71 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 250 MHz 1H NMR spectrum of L-proline is comprehensively analysed by computer simulation for different pH values. A fast endo-exo interconversion has already been proposed from chemical shift and coupling constant data. A critical comparison of the vicinal coupling constants leads to the conclusion that in basic solution the equilibrium is shifted towards a more endo conformation. The position of the carboxylic plane in the ring space is given by the relative intramolecular chemical shift of the geminal protons and by the typical patterns of the Hα multiplet. These results are applied to the analysis of the spectra of Pro—NH2 and Ac—Pro—NH2.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070202
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  • 22
    Electronic Resource
    Electronic Resource
    NMR spectral analysis of 1,3,2-dithiaphosphorinanes and 1,3-dithianes (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 76-77 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The full set of NMR spectral parameters (1H, 13C, 31P) are reported for 2-phenyl-1,3,2-dithiaphosphorinane and 2-phenyl-1,3-dithiane. The stereochemical dependence of the coupling constants is discussed.
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270070204
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  • 23
    Electronic Resource
    Electronic Resource
    Complexation du trichlorure d'aluminium par la triméthylphosphine et la diméthylphénylphosphine: Etude RMN (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 72-75 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: NMR spectra of several R3P/AlCl3 systems [with R3 = (CH3)3 and (CH3)2(C6H5)] in solution have been measured. The results suggest the occurrence of fast exchanges involving 1/1 and 2/1 adducts and free phosphine. The existence of the 2/1 compounds has been confirmed by low temperature (173 K) experiments.
    Notes: Les résultats de l'étude par résonance magnétique nucléaire des systèmes R3P/AlCl3 [avec R3 = (CH3)3 et (CH3)2 (C6H5)] ne peuvent ětre interprétés qu'en admettant l'existence, en solution et à 306 K, d'échanges rapides intéressant les complexes R3PAlCl3 et (R3P)2AlCl3 ainsi que la phosphine libre. Des expériences à basse température (173 K) confirment cette hypothèse et établissent définitivement l'existence des composés 2/1.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070203
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  • 24
    Electronic Resource
    Electronic Resource
    Reaction de redistribution entre le tripropylbore et ses produits d'oxydation: Etude par résonance du Noyau 11B (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 78-80 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A study by B11 NMR of the system tripropylborane-boron trioxide shows that scrambling reactions occur between the alkylborane and its oxidation products; this involves a redistribution of the mono-(—C3H7) and difunctional (—O—) substituents attached to boron, leading to molecules of varying size and structure.
    Notes: L'étude par résonance magnétique nucléaire (11B) des systèmes formés par le tripropylbore et l'anhydride borique met en évidence l'intervention de réactions de redistribution entre le tripropylbore et ses produits d'oxydation, c'est-à-dire de redistributions mettant en jeu des groupements monofonctionnels (—C3H7) et difonctionnels (—O—) sur des atomes de bore tricoordonnés.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070205
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    Proton NMR spectrum of indene oriented in the nematic phase (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 81-83 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The proton NMR spectrum of the 8-spin system of indene has been studied in the nematic phase of N-(p-ethoxybenzylidene)-p-n-butylaniline. Orientation parameters and ratios of interproton distances have been derived and are compared with the results of an electron diffraction study.
    Additional Material: 1 Ill.
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  • 26
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    tert-Butyl 7-cycloheptatrienylperacetate: The proton NMR spectrum and conformational analysis (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 94-96 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The proton magnetic resonance spectrum of tert-butyl 7-cycloheptatrienylperacetate has been analyzed with the aid of the lanthanide shift reagents, Eu(fod)3 Yb(fod)3. Observation of the lanthanide-induced shifts showed, in conjunction with variable temperature studies establishing the conformational purity of the cycloheptatrienyl ring, that the peracetate substituent has a definite equatorial preference.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070210
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  • 27
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    Forthcoming papers (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. A5 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070213
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  • 28
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    Mesomere Kationen. IVFür III Mitteilung, siehe Lit. 1. - 13C-NMR-Spektren von Uronium-, Thiouronium- und Guanidiniumsalzen, sowie einigen Guanidinen (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 128-136 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The 13C chemical shifts of uronium-, thiouronium- and guanidinum salts are reported, and compared with the shifts of the corresponding uncharged ureas, thioureas and guanidines. The shifts for the aromatic carbon atoms in these compounds compared with related phenols and thiophenols give insight into the charge distribution in the systems.
    Notes: Die 13C-NMR-chemischen Verschiebungen von Uronium-, Thiouronium- und Guanidiniumsalzen werden mit den entsprechenden ungeladenen Harnstoffen, Thioharnstoffen und Guanidinen verglichen. Die chemischen Verschiebungen der aromatischen Kohlenstoffatome geben in Zusammenhang mit den entsprechenden Phenolen und Thiophenolen einen Einblick in die Ladungsverteilung in diesen Systemen.
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  • 29
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    Carbon-13 NMR spectra of fusicoccin and its derivatives (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 137-142 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR spectra of fusicoccin, some of its cometabolites and derivatives were studied. Using standard Fourier transform techniques, T1 relaxation time measurements and lanthanide shift reagents, the resonances of individual carbon-13 nuclei were assigned.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070306
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  • 30
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    Masthead (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975) 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070401
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    Hindered rotation in thioureas: Steric effects and conformationsThis research has been submitted by one of the authors (R. H. S.) as partial fulfillment of the requirements for the PhD degree in chemistry at Howard University, August 1972.Presented in part at the American Chemical Society South-eastern Regional Meeting, Charleston, South Carolina November 1973. (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 143-150 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The temperature dependent spectra of several mono-, di- and trialkylthioureas have been recorded. Free energy barriers to internal rotation about the C—N bonds have been calculated. In thioureas that were unsymmetrically substituted, free energy barriers were found to be different for each C—N bond with the more substituted amino group exhibiting the higher barrier. The monosubstituted thioureas showed different rotational barriers for the NH2 groups of the cis and trans isomers, respectively. The free energy barriers for the trans isomers were found to be substituent dependent and substantiate the reassignment of the high and low field substituent signals to the trans and cis isomers, respectively. The spectrum of 1-methyl-3-t-butylthiourea indicates restricted rotation of the t-butyl group at temperatures below 200 K.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070307
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  • 32
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    Molecular motions in alicyclic compounds (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 172-174 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon-13 spin-lattice relaxation times and chemical shifts are reported for a number of cyclic alcohols and the corresponding methyl ethers. The overall rotation of the alcohols was found to be considerably more anisotropic than that of the methyl ethers. Anisotropic motion becomes less pronounced in both series as ring size increases.
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    URL: http://dx.doi.org/10.1002/mrc.1270070406
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  • 33
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    1H NMR spectra and stereochemistry of cis- and trans-5,6-dimethyl-2-oxo-1,4-dioxans (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 177-178 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H NMR spectra of isomeric 5,6-dimethyl-2-oxo-1,4-dioxans have been recorded and the pertinent chemical shifts and coupling constants determined. The parameters indicate that both isomers exist as an equilibrium mixture of interconverting half chair ring conformations.
    Additional Material: 2 Ill.
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    Aziridines. IXPartie VIII: Voir Ref. 1. - Mise en évidence du phénomène d'inversion de l'azote dans les aziridines secondaires par RMN de 13C (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 175-176 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The effect of nitrogen inversion on carbon-13 chemical shifts has been observed in 2,2-diphenylaziridine, 2,2-dimethyl-3,3-diphenylaziridine and 2-phenyl-2-methylaziridine under conditions of slow NH exchange. Additionally, isotope shifts due to slow deuterium exchanges of the inverting secondary amine have also been detected.
    Notes: L'effet d'inversion de l'azote sur les déplacements chimiques en Résonance Magnétique Nucléaire de carbone-13 a été observé avec la diphényl-2,2-aziridine, la diméthyl-2,2 diphényl-3,3 aziridine et la phényl-2 méthyl-2 aziridine, sous des conditions d'échange lent du proton du NH. De plus, nous avons pu déceler des variations de déplacements chimiques dǔes à un échange isotopique lent H—D.
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270070407
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  • 35
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    Long range 13C—1H coupling constants. IIIFor Part II, see Ref. 1. - methylpyridines (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 181-184 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Proton coupled carbon-13 NMR spectra of eleven mono-, di- and trimethylpyridines were analysed on a first order basis. The long range 13C—1H coupling constants are similar to those observed for pyridine and cyanopyridines.
    Additional Material: 5 Ill.
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    A NMR study of trimethylacetic acid self-association (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 179-180 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The carboxyl proton chemical shifts of neat trimethylacetic acid and its solutions in cyclohexane have been measured as a function of temperature. Formation, at the melting point, of a carboxyl group satellite line on the low field side has been found. The intensity of this satellite line rises with decreasing temperature, whereas the intensity of the main line decreases. The chemical shifts of the monomer (δm = 4·9 ± 0·6 ppm) and dimers, the equilibrium constants, enthalpy (ΔH = -(11·3 ± 0·6) kcal/mol) and entropy (ΔS = -(13·5 ± 0·7) cal/mol. degree) changes have been calculated using the concentration dependence of the chemical shifts of trimethylacetic acid in cyclohexane solutions at various temperatures. The chemical shift of the satellite line has been shown to correspond to the chemical shift of the cyclic dimers of the acid.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070409
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  • 37
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    Proton transfer in the 1,1-dinitroethane/n-dibutylamine complex (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 185-186 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H NMR spectra of 1,1-dinitroethane/n-dibutylamine solutions in CCl4 have been investigated. It is shown that two types of complexes, the CH … N hydrogen bond complex and the ion pair are present in the solution simultaneously, with slow exchange through proton transfer between them. The exchange rates, activation energy and enthalpy of proton transfer are determined. It can be concluded that the act of proton transfer from carbon to nitrogen and back is kinetically determined.
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270070411
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    News and Events (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. A8 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070414
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  • 39
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    An example of hydrate-keto equilibrium (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 189-190 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The hydrate of 1,1,1,5,5,5-hexafluoro-2-hydroxy-2-methylpentan-4-one has been shown to exist in a hydrate-keto equilibrium in acetone and ether solutions using 1H and 19F magnetic resonance. The equilibrium percentages of the keto and hydrate forms as determined from 19F resonance are 30 and 70, respectively.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070413
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  • 40
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    Restricted rotation in amides. VIIPart VI. A. H. Lewin, M. Frucht, K. V. J. Chen, E. Benedetti and B. Di Blasio, Tetrahedron 31, 207 (1975). - methods of resonance assignment in tertiary amidesEditor's note added in proof: The compounds discussed in this paper are all N,N-disubstituted primary amides. - an evaluation (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 206-225 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Examination and evaluation of various methods for resonance assignments in amides reveals that only three of these are reliable: (a) the nuclear Overhauser effect, which leads to unequivocal results in tertiary amides; (b) the aromatic solvent induced shift, which is rapid and accurate for tertiary amides without polar substituents; (c) the lanthanide-induced shift, which although easy, can be applied only to tertiary amides with substituents that do not complex lanthanides.
    Additional Material: 11 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270070505
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  • 41
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    13C NMR study of the enol forms of β-diketones (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 237-239 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon-13 NMR spectra of a series of β-diketones in the enol form with various β-substituents have been studied. An additive influence of the β-substituents on the chemical shifts of the carbon atoms in the hydrogen bonded chelate ring has been found. It is shown that the α- and β-carbon chemical shifts can be calculated by means of a set of increments for arbitrary combinations of the X and Y substituents. Analysis of the experimental data enables the conclusions to be drawn that enol-enolic tautomerism with different populations of the forms (A) and (B) is absent in β-diketones and that the carbon chemical shift changes are caused by electron density redistribution in the hydrogen bonded chelate ring (C).
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270070507
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    Lanthanide-induced shifts of diastereotopic groups (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 240-243 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The chemical shift differences of diastereotopic protons in aliphatic acyclic alcohols, mostly of the type R—CH2—CR′R″—(CH2)nOH, have been investigated. Fairly small amounts of Eu(dpm)3 cause the spectra of these materials to simplify dramatically; indeed, even diastereotopic protons rather far removed form the hydroxyl group give discrete signals in the presence of the shift reagent. Large shift differences were realized in the γ-protons (n = 1) and the δ-protons (n = 2), particularly if R is bulky and R' and R″ have different steric requirements. Semi-quantitative conformational preferences can be determined from the data obtained.
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    URL: http://dx.doi.org/10.1002/mrc.1270070508
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    Interactions intramoleculaires: XXIIPartie XXI: Réf. 1. - Constantes de couplage, équilibres conformationnels et interactions gauches avec un groupement t-butyle (molécules cyclohexéniques deutériées) (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 226-236 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The NMR parameters are determined for a series of disubstituted (R = CH3, (CH3)3C; X = COOCH3, CN) and specifically deuterated cyclohexenes. The 3 J(HH), 3J(HD), 4J(HH) and 5 J(HH) coupling constants are used to evaluate the conformational equilibria. Three of the five compounds with an allylic t-butyl substituent, are conformationally heterogeneous; these equilibria, and those between stereoisomers are used for an analysis of this phenomenon, carried out within the framework of the hypothesis of additivity of conformational free energies and gauche interactions.
    Notes: Les paramètres RMN d'une série de cyclohexènes disubstitués (R = CH3, (CH3)3C; X = COOCH3, CN) et spécifiquement deutériés sont déterminés. A partir des valeurs des constantes de couplage 3J(HH), 3J(HD), 4J(HH) et 5J(HH), les équilibres conformationnels sont évalués. Trois des cinq composés ayant un groupement t-butyle en position allylique sont conformationnellement hétérogènes; les équilibres correspondants et les équilibres entre stéréoisomères permettent une analyse de ce phénomène dans le cadre de l'hypothèse de l'additivité des enthalpies libres conformationnelles et des interactions gauches.
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    URL: http://dx.doi.org/10.1002/mrc.1270070506
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    Long range 13C—1H coupling constants IVSee Ref. 1. - methoxy-, amino- and hydroxypyridines (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 244-246 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: One bond and long range 13C—1H coupling constants for some methoxy-, amino- and hydroxypyridines are described. An unambiguous assignment of carbon-13 resonances is carried out based on the analysis of the fine splitting caused by long range couplings. J values for compounds other than 2- and 4-hydroxy-pyridines are explainable in terms of the values previouly obtained for cyano- and methylpyridines. The hydroxypyridine-pyridone tautomerism affects 2J(Hα), i.e. 2J associated with the α proton. This effect can be used to differentiate pyridones from hydroxypyridines.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070509
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    Masthead (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975) 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070601
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  • 46
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    Vicinal interproton couplings through two heteroatoms. II - Coupling 3J(H—N—O—H) occurring in m-Nitrophenylhydroxylamines (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 247-248 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The proton NMR spectra of certain arylhydroxylamines in DMSO-d6 show a vicinal coupling through nitrogen and oxygen. The assignment of OH and NH signals was made using a 15N labelled derivative.
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    Studies of the kinetics of the interaction between N-trifluoroacetlyl-D-tryptophan and α-chymotrypsin by pulsed nuclear magnetic resonance (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 249-255 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Carr-Purcell experiment first used by Allerhand and Gutowsky for the determination of chemical exchange rates has been applied to the study of an enzyme inhibitor complex. Chemical shift and relaxation time data obtained by analysis of pulsed fluorine NMR data collected at 51 MHz are shown to be consistent with high resolution results assembled at 94° 1 MHz. The rate constants for dissociation of the N-trifluoroacetyl-D-tryptophan-α-chymotrypsin complex were determined to be 1 × 104 s-1 at 26°C and 2 × 103 s-1 at 6·5°C. The resonance position of the fluorine nuclei of the inhibitor is shifted downfield ∼1 ppm upon complexation to the enzyme, and the trifluoromethyl group suffers some restriction of molecular motion in the bound state as indicated by T1 and T2 data.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070602
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    Etudes configurationnelles et conformationnelles de quelques chlorures de désoxy-6 β-L-héxopyrannosyle chlorosulfonyles et de leurs glycosides de méthyle (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 366-371 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A total analysis of the NMR spectra of 6-deoxy-L-hexopyranoses in the α-configuration and of the corresponding β-anomers was carried out. The parameters obtained are characteristic of a 1C (L) chair conformation, having the anomeric substituent in an axial orientation for the methyl α-fuco-, α-rhamno- and α-chinovopyranosides and for the α-fuco- and α-rhamnopyranosyl chlorides. The structure is also of a 1C (L) chair type for the methyl β-fuco- and β-chinovopyranosides; the geometry is the same for the β-fuco- and β-rhamnopyranosyl chlorides despite the anomeric effect of a chlorine atom. However, the NMR parameters of the β-chinovopyranosyl chloride are not explicable on the basis of a chair conformation with an equatorial chlorine or a boat structure.
    Notes: Une analyse complète des spectres RMN de désoxy-6 L-hexopyrannoses de configuration α et des anomères β correspondants est réalisée. L'ensemble des paramètres obtenus confirme l'existence d'une structure chaise 1C (L) présentant une disposition axiale du substituant anomère dans le cas des α-fuco-, α-rhamno- et α-chinovopyrannosides de méthyle et des chlorures de α-fuco- et α-rhamnopyrannosyle. La structure reste de type chaise 1C (L) dans le cas des β-fuco- et β-chinovopyrannosides de méthyle. Il en est de même en dépit de I'effect anomère dû à I'atome de chlore, pour les chlorures de β-fuco-et β-rhamnopyrannosyle. Par contre les paramètres RMN du chlorure de β-chinovopyrannosyle ne semblent interprétables ni sur la base d'une géométrie chaise à chlore équatorial ni par une structure bateau.
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    URL: http://dx.doi.org/10.1002/mrc.1270070803
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    Exemple d'une transposition dyotropique à l'état solide Mise en evidence par RMN haute résolution (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 376-378 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The analysis of 250 MHz spectra of 2,3,6-tribromo-4-methyl-cyclohexanones gives the precise value of the J(H—H) coupling constants of these products. The validity of the assignments has been checked by computer simulation of the spectra. The results obtained have been interpreted in terms of geometric deformations.
    Notes: L'analyse des spectres RMN à 250 MHz de tribromo-2,3,6 méthyl-4 cyclohexanones a permis de déterminer avec précision les constantes de couplage J(H—H) de ces composés. La validité des attributions a été contrôlé en reconstituant les spectres par calcul électronique. Les résultats observés ont été interprétés en terme de déformation géométrique.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070805
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  • 50
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    NMR study of organosilicon compounds. IIIPart II, see Ref. 1. - Silicon-29, nitrogen-14, carbon-13 and proton NMR spectra of silylakylamines (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 379-385 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 29Si, 14N 13C and 1H NMR data are presented for a series of homologous (methylethoxysilyl)alkylamines of the type (CH3)3-n(C2H5O)nSi(CH2)mNH2(n=o to 3; m = 1 to 4). The measured 13C and 1H chemical shifts correlate with the total net charges QA on the corressponding atoms, estimated by the Del Re method. 14N and 29Si chemical shifts which do not show simple linear relationships to the charges are found to correlate with the relative basicities of the compounds. The influence of the remote substituent (—NH2 and others) on the 29Si chemical shifts is shown to depend on the number and nature of substituents directly on the silicon atom. Argyments for d-orbital participation in the Si—O bounds are given. The chemical shifts of 29Si, 14N and 13C nuclei are not consistent with the fromation of intramolecular ‘long bonds’ between the solicon and nitrogen atoms in aliphatic silymethylamines.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070806
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  • 51
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    Influence de la substitution sur la structure de la benzophenone. X. - Etude conformationnelle de benzaldehydes, acetophénones et benzophénones substitués par complexation avec les lanthanides (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 386-391 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Low temperature 1H NMR was unsuccessful in conformational analysis of substituted benzophenones. However, induced lanthanide chemical shifts study permitted us to check satisfactorily the results obtained by Rayleigh depolarised light scattering and dipole moment studies on meta and ortho substituted benzophenones. The existence in solution, of a conformational equilibrium in these cases is confirmed.
    Notes: La résonance magnétique nucléaire du proton à basse température s'est révélée peu fructueuse dans l'étude conformationnelle des benzophénones substituées. Cependant, l'analyse des déplacements induits par les lanthanides nous a permis de recouper de façon très satisfaisante les résultats obtenus par diffusion Rayleigh dépolarisée et dipolemétrie pour les benzophénones meta et ortho substituées. L'existence en solution d'un équilibre conformationnel pour ces composés est confirmée.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070807
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  • 52
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    1H and 13C NMR study of α-acetylenic PIII and PIV derivatives. Signs and magnitudes of J(P—C) and J(P—H) (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 392-400 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: All J(P—H) and J(P—C) values, including signs, have been obtained in acetylenic and propynylic phosphorus derivatives, R2P(X)—C≡C—H and R2P(X)—C≡C—CH3 (X = oxygen, lone pair and R = C6H5, N(CH3)2, OC2H5, N(C6H5)2, Cl) from 1H and 13C NMR spectra. In PIV derivatives the following signs are obtained: 1J(P—C)+, 2J(P—C)+, 3J(P—C)+, 3J(P—H)+, 4J(P—H)—. Linear relations are observed between 1J(P—C), 2J(P—C) and 3J(P—C) versus 3J(P—H), indicating that these coupling constants are mainly dependent on the Fermi contact term, though the other terms of the Ramsey theory do not seem to be negligible for 1J(P—C) and 2J(P—C).In PIII derivatives these signs are: 1J(P—C)- and +, 2J(P—C)+, 3J(P—C)-, 3J(P—H)-, 4J(P—H)+. Only 3J(P—C) and 3J(P—H) reflect a small contribution of the Fermi contact term while in 1J(P—C) and 2J(P—C) this contribution seems to be negligible relative to the orbital and/or spin dipolar coupling mechanisms.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070808
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    An NMR study of some N-arylaminopropenylylidenearylammonium salts (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 401-404 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The preparation, characterisation and 1H NMR spectra of some N-arylaminopropenylylidenearylammonium salts are reported. The NMR data show that in DMSO the cations exist as conjugated amino-imines, generally as the ‘all-trans’ geometrical isomer. An exception is found in the case of the 4-nitrophenyl derivative which produces a mixture of the ‘all-trans’ and ‘cis-trans’ isomers with slow exchange between them at room temperature. The relative stability of the ‘all-trans’ isomer increases as the salt becomes more ionic. By varying the temperature, pH and nature of the anion it is found that exchange of the N—H protons on the cation controls the appearance of spin-spin coupling between the N—H and 1,3-propene protons.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070809
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  • 54
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    Determination of relative signs of 13C—13C coupling constants in doubly labelled compounds (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 405-406 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Analysis of the noise decoupled 13C spectra of doubly 13C labelled compounds where the two labelled carbons are identical, makes the determination of reltive signs of 13C—13C coupling constants possible in a very simple way. The involved carbon form AA'X or AA'B spin systems.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070810
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  • 55
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    Solvent effects upon the proton NMR linewidth in dimethylformamide (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 409-410 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The NMR linewidth of the formyl proton in dimethylformamide has been studied in the neat liquid and twelve organic solvents. It varies by more than one order of magnitude which is referred to solvent viscosity changes and to the protonation of dimethylformamide. The data do not allow the distinction between N- and O-protonation without further knowledge of the solvent dependence of either the nitrogen-14 spin lattice relaxation time or the spin-spin coupling 2J(NH).
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270070902
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  • 56
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    Carbon-13 NMR spectroscopy of hop bitter substances (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 415-417 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR spectra of the most important hop bitter substances are analysed. All individual carbon atoms are assigned, except the oxygen bonded sp2 carbon atoms. Most assignments are made partly by comparison with analogous compounds and partly by reference to literature data. Cross-correlations with the 1H NMR shifts are made for two main products and confirm the correctness of the assignments. All data are in agreement with the known structures.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070904
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  • 57
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    13C-NMR-Spektroskopie von Cyclopropenonen und Cyclopropenyliumionen (Cyclopropenonchemie: VIIFür VI Mitteilung, siehe Lit 1.) (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 418-421 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The carbon-13 NMR spectra of thirteen cyclopropenones, two cyclopropenethiones, five related cyclopropenylium salts and three cyclobutenediones are tabulated and discussed.
    Notes: Die 13C-NMR-Spektren von dreizehn Cyclopropenonen, zwei Cyclopropenthionen, fünf zugehöriger Cyclopropenyliumsalze und von drei Cyclobutendionen werden tabelliert und diskutiert.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070905
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  • 58
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    Etude par RMN protonique d'heterocycles voisins de l'oxazaphospholane-1,3,2. II - Le diméthylamino-2 méthyl-3 oxazaarsolane-1,3,2 (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 411-414 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The 1H NMR spectrum of the 2-dimethylamino-3-methyl 1,3,2 oxazaarsolane is very sensitive to solvent and temperature. A complete analysis of the spectrum at -48 °C in deuteriated toluene shows that the molecule exists in a preferred conformation in the C-4—C-5 region. The spectrum, corresponding to an A2X2 system in nitrobenzene at +31 °C, indicates free movement around that bond. At higher temperatures a new coalescence phenomenon is explained by inversion of the As atom.
    Notes: Le spectre de résonance magnétique protonique du diméthylamino-2 méthyl-3 oxazaarsolane-1,3,2 est très sensible à la température et à la nature du solvant. L'analyse complète du spectre protonique à -48 °C dans le toluène deutérié montre que la molécule est dans une conformation privilégiée au niveau C-4—C-5. Dans le nitrobenzène à +31 °C, le spectre de type A2X2 indique un mouvement de libration autour de cette liaison. A température plus élevée un nouveau phénomène de coalescence peut être expliqué par l'inversion de l'atome d'arsenic.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270070903
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    Structure and protonation study of the imidazo [1,2-a]-pyrimidine system in 1H nuclear magnetic resonance (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 455-459 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H NMR spectra of imidazo [1,2-a]pyrimidine derivatives have been analysed to study the aromatic character and protonation behaviour of this system. By employing the ‘ring currentn’ model and calculations based on the coupled Hartree-Fock method it can be deduced that a large π-electron delocalisation exists in this heterocyclic system and affects the screening constant of the protons. Charge density schemes obtained by SCF techniques agree with the reactivity behaviour of these molecules.A detailed study of protonation carried out by following the 1H NMR spectra both in trifluoroacetic acid and in aqueous hydrochloric acid shows that the most probable site of protonation is N-1, but leaves open the possibility of a rapid exchange of one proton between N-1 and N-8.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070912
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  • 60
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    Effect of methyl substituents on the NMR spectra of aromatic protons of some nitrobenzene derivatives (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 465-466 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Proton NMR spectra were recorded and analysed for 1-bromo-4-nitrobenzene, 2-bromo-5-nitroluene, 3-bromo-6-nitrotoluene and 2-bromo-5-nitro-p-xylene, as well as for the corresponding compounds having p-CH3C6H4S in place of Br. Chemical shifts and coupling constants generally agree with expected values; however, a deshielding effect of the methyl group on aromatic protons was observed in one case.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270070914
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  • 61
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    Substituent effects on 13C—13C coupling constants and chemical shifts in 13C labelled polycyclic aromatic hydroxy compounds (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 475-477 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effects of an hydroxy substituent on 13C—13C coupling constants and 13C chemical shifts have been measured in 1-hydroxynaphthalene-2-13C and 1-hydroxypyrene-1-13C. The changes observed in the 13C—13C couplings show the effect of a substituent attached directly to the labelled carbon or to a carbon ortho to this. In both situations the effect is a decrease in the numerical magnitude of most of the long range 13C—13C coupling constants.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071004
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    Synthesis and structure assignments of cis- and trans-2-(diethylaminomethyl)cyclohexanols (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 508-511 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The synthesis of cis- and trans-2-(diethylaminomethyl)-cyclohexanols and their structural assignments by NMR using the shift reagent Eu(dpm)3 are described. The correlation of the induced shifts with the equation Δν = K(3 cos2θ - 1)r-3, assuming an Eu—O distance of 2·4 Å and θ less than 30°, suggests that the interactions are pseudocontact. The values of K are 452 and 420 for the two cyclohexanols, respectively.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270071010
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  • 63
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    Additive NMR shielding parameters for some substituted cyclohexanols (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 548-553 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The shielding effects of some substituents on the chemical shifts of the methine proton of axial and equatorial cyclohexanols have been calculated and rationalised. The remarkable downfield shift observed for the phenyl substituent has been discussed on the basis of Johnson-Bovey and Haigh-Mallion theories. The chemical shift of methine protons of some cyclohexanols have been calculated using additive shielding increments. Agreement between calculated and experimental values substantiates the use of the additivity principle in cyclohexyl systems and justifies the origin of certain marked inversions of the accepted rule that the axial protons resonate at lower fields than the corresponding equatorial ones.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270071106
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    NMR studies of the configuration of the isomeric 2,3-dimethyloxetanes (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 554-556 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H and 13C NMR spectra of cis- and trans-2,3-dimethyloxetane have been re-examined and the published NMR assignments shown to be in error.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071107
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    An NMR study of the conformations of certain alcohol derivatives of tricarbonyl(diene)iron compounds: A critique (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 557-562 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The initial assignments by Mahler and Pettit of relative configurations of the two racemic diastereomeric tricarbonyl-(trans,trans-3,5-heptadien-2-ol)iron complexes and to the two racemic diastereomeric tricarbonyl-(trans-3,5-hexadien-2-ol)iron complexes are consistent with NMR coupling constants, conformational analysis, previously reported Eu(fod)3 lanthanide-induced shift data and new Yb(dpm)3 lanthanide-induced shift data. A detailed discussion shows that, contrary to the claim by Foreman, the lanthanide-induced shift data alone provide no new information regarding the relative configurations of these alcohols.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270071108
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    Coupling constants in N-substituted pyridines and their relation with electronegativity (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 569-571 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The coupling constants obtained from the complete spectral analysis of series of 1- and 3-substituted pyridine N-imides are related linearly to the electronegativities of the substituent atoms. The main conclusions of the papers by Cox, Castellano and Sun, and Castellano and Kostelnik are substantiated. The inductive effects of the first atoms of the substituents largely determine the coupling between protons in the ring system; delocalisation of π-electrons in the ring produces a much smaller effect.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270071110
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    Semi-empirical MO calculations of nuclear spin coupling constants (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 563-568 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The results obtained using different semi-empirical approaches, namely EHMO, IEHMO, CNDO/2 and INDO, in the calculation of spin-spin coupling constants within the framework of the one-electron MO approximation are systematically compared in the case of several classes of organic molecules. While, at a semi-empirical level SCF methods normally provide satisfactory wave function, the use of the simple EHMO seems better able to satisfy the problem connected with the calculation of spin-spin coupling constants, expecially when an appropriate set of AO's is chosen, in order to avoid parametrisation of Dirac monocentric integrals. Charge iteration (IEHMO) seems to improve the results slightly only when heteroatoms are present, but the complexity introduced into the calculations and the greatly increased computer time do not justify the slight improvement achieved, particularly as the method is applied to large molecules and organometallic compounds.
    Additional Material: 9 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270071109
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    Etude par Résonance Magnétique Nucléaire du 13C des chlorhydrates de-N-(phényl-1 cyclohexyl) piperidines.Travail réalisé sur contrat D.R.M.E. No. 73/704. (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 579-584 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The conformations of N-(1-phenylcyclohexyl)piperidinium chloride and some 4-substituted derivatives in H2O and CDCl3 were studied by means of 13C NMR. The results confirm the greater stability of compounds with equatorial piperidinium. Certain characteristics in the observed chemical shifts may be attributed to deformations of the cyclohexyl system, probably caused by the phenomenon of solvation.
    Notes: L'attribution des signaux de RMN du 13C de la N-(phényl-1 cyclohexyl) pipéridine et de quelques dérivés 4-substitués, sous forme de chlorhydrates dans H2O et CDCl3, a permis une étude conformationnelle. Celle-ci confirme la plus grande stabilité des composés dont le groupe pipéridinium est équatorial. Certaines particularités dans les glissements chimiques observés paraissent attribuables à des déformations du système cyclohexanique, étroitement liées au phénomène de solvatation.
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    URL: http://dx.doi.org/10.1002/mrc.1270071203
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    The proton magnetic resonance of heterocyclic diketones (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 591-595 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A full analysis of the 60 MHz 1H NMR spectra of heterocyclic analogues of 1,3-indandione [N-(2-bromoethyl)-phthalimide, phthalic anhydride and thiophthalic anhydride] and of 1,2-indandione (N-methylisatin, coumarandione and 2,3-dihydrothionapthene-2,3-dione) has been carried out. The protons of the symmetric compounds resonate at lower fields than those of the asymmetric ones and the proton ortho to the CO function is more deshielded than the proton ortho to the heteroatom. Coupled Hartree-Fock perturbation theory has been applied to estimate the ring current contributions to the proton chemical shifts and to the magnetic susceptibilities. MO calculations based on the finite perturbation theory at the CNINDO levels provide information on the relative importance of σ and π pathways for the various coupling constants.
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    URL: http://dx.doi.org/10.1002/mrc.1270071206
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    13C NMR spectroscopy of four tertiary methyl norbornenols and norbornanols (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 596-597 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon chemical shifts and direct 13C—1H coupling constants of 2-endo-methyl-5-norbornen-2-exo-ol, 2-exo-methyl-5-norbornen-2-endo-ol, 2-endo-methylnorbornan-2-exo-ol and 2-exo-methylnorbornan-2-endo-ol have been measured from single samples using a dual probe pulse Fourier transform method.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071207
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    Spectre RMN 1H et 13C de tous les mono- et diacétoxynaphtalènes. Increments de déplacement chimique pour le proton et le carbone-13. Cas de quelques autres dérivés du naphtalène (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 598-601 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The study of this series of compounds proves the usefulness of shift increments for the identification of proton and carbon-13 resonances. These increments may be obtained as a first approximation from the study of the monosubstituted derivatives or by comparison with the corresponding benzene derivatives.
    Notes: L'étude complète de cette série permet de justifier l'emploi des systèmes d'incréments pour l'identification des raies de résonance du proton et du carbone 13. Ces incréments peuvent être obtenus en première approximation par l'étude des dérivés monosubstitués ou par comparaison avec les dérivés du benzène.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071208
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    13C Fourier transform NMR and partially relaxed Fourier transform NMR relaxation study on the ethanol-manganese(II) system (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 602-604 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The paramagnetic contribution to the 13C and 1H nuclear relaxation rates in the ethanol-Mn(II) system has been calculated. Both T1 and T2 experiments have been performed by means of Fourier transform and partially relaxed Fourier transform NMR spectroscopy. The correlation times for the dipolar and scalar parts have been discussed and evaluated. Calculations of distances and of hyperfine coupling constants have been carried out.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071209
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    35Cl/37Cl isotope effects on 13C chemical shifts. Assignment of carbon-13 NMR lines of polychlorinated hydrocarbons (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 615-616 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An isotope effect of about 0·1 Hz at 25 MHz (0·004 ppm) on the 13C chemical shifts due to directly bonded chlorine has been observed at -50°C for hexachloropropene, hexachlorobutadiene and tetrachlorobutenyne. This effect yields an unambiguous assignment of 13C NMR lines to specific carbon atoms in these polychlorinated hydrocarbons.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071212
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  • 74
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    Group IV organometal derivatives of pyridine. I - A 1H and 13C NMR investigation of trialkylmetal derivatives of pyridine (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 610-614 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The proton and carbon-13 NMR spectra of thirteen trialkylmetal derivatives of pyridine, several of which were previously unknown, have been recorded and analysed. The proton NMR spectra show variations in proton chemical shifts but not in proton-proton coupling constants when the metal substituent is changed; the ring proton-metal coupling constants nJ(M—H) in the tin and lead derivatives correspond closely with the corresponding proton-proton couplings nJ(H—H) in pyridine. The carbon-13 chemical shifts of the carbons bound to the metal can apparently be correlated with the electron-donating ability of the trialkylmetal group. In the trimethylstannylpyridines the value of 1J(Sn—Cring) varies greatly with the position of the Me3Sn group.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071211
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    The 14N NMR linewidth versus pH profiles for several amino acidsNMR Characterization of Functional Groups - IV; previous papers in this series: S. L. Manatt, D. D. Lawson, J. D. Ingham, N. S. Rapp and J. P. Hardy, Anal. Chem. 38, 1063 (1966); J. D. Ingham, D. D. Lawson, S. L. Manatt, N. S. Rapp and J. P. Hardy. Macromol. Chem. 1, 76 (1965); S. L. Manatt, J. Amer. Chem. Soc. 88, 1323 (1966). (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 605-609 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A spectrometer for recording 14N NMR spectra is described. The 14N NMR linewidth versus pH dependences of several amino acids and related molecules are presented. It appears that the linewidth pH profile of each amino acid is unique. Linewidth minima occur between pH 6 and 8. A discussion on how 14N NMR linewidths of amino acids might give information on weak association is given.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270071210
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    Vicinal C,H spin coupling in substituted alkenes. Stereochemical significance and structural effects13C NMR Spectroscopy, Part XII. For Part XI, see Ref. 45.Dedicated to Professor T. R. Govindachari (Bombay) on the occasion of his 60th birthday. (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 617-627 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Vicinal C,H spin coupling (3JC,H) in substituted alkenes has been investigated systematically. Emphasis is laid on the stereochemical significance (Jtrans/Jcis) and on the various structural factors which influence 3JC,H, such as π-bond order, torsional angle φ, bond angle θ, electronegativity of substituents and steric effects. A new type of γ-effect is observed in 3JtransC,H which appears to have the same origin as the γ-shift effect. By comparison of 3JCH3,H and 3JH,H, it was found that the relation 3JC,H ≍ 0·6 3JH,H holds for both trans and cis coupling constants. Finally, it is concluded that 3JC,H constitutes a valuable criterion to distinguish E- and Z-isomers, particularly in trisubstituted alkenes. Applications to natural products are presented.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270071213
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  • 77
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    Double inversion de fréquences de protons méthyléniques par interaction 1-3 syn-diaxiales. Mise en évidence par RMN haute résolution (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 628-630 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The high field NMR spectra of two 2,3,6-trihalogeno-2-methylcyclohexanones show a double inversion of chemical shifts for methylene protons. This anomaly is explained by 1-3 syn-diaxial interactions.
    Notes: L'étude par RMN à haut champ de deux trihalogéno-2,3,6 méthyl-2 cyclohexanones nous a permis de mettre en évidence une double inversion de fréquences de protons méthyléniques par interaction 1-3 syn-diaxiales.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071214
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  • 78
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    Concerning the fluorine NMR spectra of steroidal phosphorofluoridates (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 631-632 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Additional spectral evidence suggests that the previously reported signal doubling in the 19F NMR spectra of certain steroidal phosphorofluoridates is better interpreted in terms of diastereoisomerism than by restricted rotation around the P—O bond.
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270071215
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  • 79
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    29Si and 13C NMR studies of organosilicon chemistry. VThe previous paper in this series is Ref. 1. - Sugar derivatives (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 635-636 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 29Si spectra have been obtained for four trimethylsilylated hexopyranoside sugars, and the resonance due to the CH2OSiMe3 group at position 5 has been assigned by experiments involving gated decoupling at a single 1H frequency.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270071217
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  • 80
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    Détermination de la forme la plus stable de l'ortho-dichlorofluorure de benzyle par RMN en phase nématique (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 633-634 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The value of direct couplings in o-dichlorobenzylfluoride, obtained from nematic phase NMR, lead to the conclusion that the most stable form is such that the fluorine atom is in a plane perpendicular to the benzene ring. However, the complete intepretation of these couplings in terms of geometrical parameters tends to indicate a modification of orientation with internal rotation of CH2F.
    Notes: La valeur des couplages directs dans l'ortho-dichlorofluorure de benzyle, obtenus par RMN en phase nématique, permet d'affirmer que la position la plus stable du CH2F est telle que le fluor se trouve dans un plan perpendiculaire au cycle benzénique. L'interprétation complète de ces couplages en fonction de la géométrie de la molécule laisse cependant supposer une modification de l'orientation intervenant en même temps que la rotation du groupement CH2F.
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270071216
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    Forthcoming papers (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. A5 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071219
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  • 82
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    RMN du carbone-13 en serie cyclopropanique. Effets de substituants (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 637-638 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Substituent effects on chemical shifts of cyclopropane derivatives are investigated by 13C NMR. When we introduce pairwise corrections in empirical correlations, the theoretical chemical shifts of trisubstituted cyclopropanes are in good agreement with experimental values.
    Notes: Les effets de substituants sur les déplacements chimiques de dérivés cyclopropaniques ont été étudiés par RMN du carbone-13. Les déplacements chimiques théoriques de cyclopropanes trisubstitués sont en bon accord avec les valeurs expérimentales lorsqu'on introduit dans les corrélations des paramètres d'interaction du second ordre.
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270071218
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    Transposition des cycles satures en spectrometrie de masse II-Ethylene acetals derives de cyclopentanones et de cyclohexanonesEquipe de recherches associées au C. N. R. S. (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 178-195 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The detailed study of the mass spectra of cyclopentanone and cyclohexanone acetals produces new evidences for the rearrangement of the corresponding molecular ions. The rearrangement was quantitatively studied with the help of a simple model. The influence of different structural features is discussed.
    Notes: L'étude détaillée des spectres de masse des éthyléne acétals dérivés de cyclopentanones et de cyclohexanones apporte de nouveaux arguments en faveur d'une transposition de l'ion moléculaire. Un modèle simplifié permettant l'étude quantitiative de ce réarrangement est proposé. L'influence de divers facteurs structuraux sur ce réarrangement est discutée.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210100304
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    Electron-impact-induced hydrogen migration in organic molecules I-Substituent effects in the mass spectra of pivlanilides (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 196-199 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Substited pivalanilides give rise to fragments corresponding to anilies on electron-impact, which is due to the migration of a hydrogen atom from the t-butyl group to the nitrogen. The Hammett correlation indicates that the formation of this fragment is favoured by electron-donating groups. The other interesting feature of these spectra is the migration of the aryl group to the t-butyl carbon with the elimination of the neutral ketemine.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210100305
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    ZUM MECHANISMUS MASSENSPEKTROMETRISCHER FRAGMENTIERUNGSREAKTIONEN BEI A/B-CIS- VERKNüPFTEN 3α-HYDROXYSTEROIDEN MIT UND OHNE 11-KETOGRUPPE (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 200-214 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mass spectra of steroids containing a carbonyl group in position 11 and a 3α-hydroxy group in a cis connected A/B ring system are characterised by very strong [M - 72]+· key ions and may therefore be clearly differentiated from the spectra of their isomers. The mechanism of this fragmentation reaction was investigated by deuterium labelling and the DADI technique. The 3α-hydroxy group is eliminated together with the 9α-H atom. Next a hydrogen atom is transferred from the A ring to the B/C/D ring system. This causes the cleavage of the C-3—C-4 bond and expulsion of C atoms 1 to 4 as butadiene. In 3α-hydroxy-5α-androstanes possessing no 11-keto group an analogous [M - 18]+. fragment is fromed, followed by the elimination of ethylene originating mostly from C-1 and C-2.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210100306
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    The ramberg-bäcklund process in the fragmentation of two benzylic β-disulfones (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 215-221 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new fragmentation process is reported for two benzylic ß-disulfones. The proposed fragmentation Scheme is analogous to the Ramberg-Bäcklund rearrangement of α-halosulfones in aqueous base.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210100307
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    Erratum (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. iii 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210100309
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  • 88
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    Biographical note (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. vii 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210100310
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    A detailed analysis of the complete hydrogen and carbon scrambling and fragmantation reactions of boron-containing cationic species in the mass spectrometerPart XXVIII of a series “Transfer Reactions Involving Boron”; for part XXVII, see Ref. 1. (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 222-240 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A detailed analysis of the mass spectral behavior of trialkylboranes and deuterium and 13C labeled tri-n-butylborane, and comparison with the ion cyclotron resonance behavior, have revealed several unique features and herefore unrecognized rearrangement and fragmantation reactions:(1)the occurrence of intial fragmentation of the parent ion with apparently nearly exclusive loss of one complete alkyl radical; (2) the extensive formation of boron-containing spiecies (〉% of the total ion current)in the mass spectrometer relative to the virtual absence (〈5%) of such spieces in the ion cyclotron resonance spectrum; (3) the dominant formation of boron-containing species of the composition [CnH2n+2B]+ with [C2H6B]+ generally being the base peak; (4) the formation of appreciable quantities of alkane molecular ions (5 to 10% of the total ion current) up to [R2]+. (from R3B); (5) the characterization of a fragmentation reaction involving the loss of CH2; (6) the observation that very extensive hydrogen and carbon scrmbling occurs in the ions formed after the initial fragmentation of the parent ion. A mechanism which satisfactorily accounts for the fragmentation and rearrangement reactions is proposed which involves the reversible formation and rearrangement of protonated boracyclopropanes and cyclopropanes formed by cationic insertions in ß-C—H bonds.
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    Masthead (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975) 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210100401
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  • 91
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    Electron-impact-induced rearrangements in the mass spectra of phosphinyl stabilized triphenylphosphonium ylides (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 241-249 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Examination of the mass spectra of some methyl and phenyl phosphonate stabilized triphenylphosphonium ylides revealed that these compounds are quite stable to electron-impact and provided valuable structural information. They exhibit strong molecular and [M - H]+ ions, and fragment ions which are characteristic for the phosphonium or the phosphonate portion of the molecules. Numerous rearrangement ions were detected, however, the most prominent of which involves the migration of a phosphonate phenyl to the ylide carbon, leading to the base peak (m/e 352) in the spectrum of diphenyl triphenylphosphoranylidenemethylphosphonate. The mechanism of these fragmentations has been studied with the aid of high resolution analysis and deuterium labeled analogs whose preparation is reported.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210100402
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    A test of the concept of ‘charge localisation’ in methionine (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 250-258 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A previous re-investigation of methionine has shown that the [C2H5S]+ ion is generated via rather complicated routes from the molecular ion. This has been interpreted as evidence against charge localisation in the fragmentation of the title compound. Deuterium labelling, high resolution mass measurements and metastable transitions have revealed, however, that the formation of the [C2H5S]+ ion is not in contradiction with the predicting capabilities of the concept of charge localisation.
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    URL: http://dx.doi.org/10.1002/oms.1210100403
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  • 93
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    Mass spectroscopy of hydroxamic acids: Fragmentation by the loss of the hydroxylamino oxygen (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 259-262 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of three dihydroxamic acids have shown in each case prominent [M - 16]+· and [M - 32]+· ions. The spectrum of biosynthetically labeled rhodotorulic acid indicates that these ions arise from the sequential, specific loss of the hydroxylamino oxygens.
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    URL: http://dx.doi.org/10.1002/oms.1210100404
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  • 94
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    Mass spectrometry of organic compounds XFor Part IX, see Ref.1.-Fragementation of 2-buten-1-o1 on electron-impact (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 263-272 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of variously deuterated 2-buten-1-ols (both Z and E) have been examined. Evidence is presented for the formation of the [M - H2O]+· ion via a 6-membered transition state, and for the occurrence of two distinct reaction pathways for formation of the major ions at m/e 57 and 43.
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  • 95
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    Kinetic energy release in metastable ion transitions. A study by ion kinetic energy spectrometry and rrkm theory (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 273-288 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An approach to energy partitioning using experimental data in conjunction with theoretical calculations is presented, with the McLafferty and related rearrangements occurring in the molecular ions of ketones, esters, amides and acid chlorides representing the specific reactions examined. The kinetic energy release associated with statistical partitioning of the nonfixed energy of the activated complex was calculated from unimolecular reaction theory and compared with experimental data. Calculations of the energy dependence of the rate constant and the average statistically released kinetic energy were made for 24 activated complexes corresponding to the two basic structures, cyclic and linear. The frequencies used in the calculations were all modeled upon the 2-pentanone case with sufficient variation in the frequencies used to allow for any reasonable type of perturbation of the linear and cyclic structures. To further test that the complexes chosen were reasonable, A-factors were determined. From a comparison of the calculated and experimental results, the contributions of the nonfixed energy of the activated complex and of the reverse activation energy to the energy release were separated. This appears to be applicable, not only to the 2-pentanone case, but across the series of reactions studied. It is also shown that, despite the fact that these reactions release relatively small kinetic energies, the fraction due to the reverse activation energies may be large. The consequences of these observations for ion enthalpy determinations are emphasized.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210100406
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  • 96
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    Mass spectrum and heat of formation of isocyanic acid. Production of [hco]+ from discrete electronic state of molecular ion (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 289-294 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The appearance potentials for the transition ([HNCO]+·→ [HCO]+ + N), determined for the reaction in the ion source and in the first field free region (15·84 and 15·52 eV) correspond, respectively, to the vertical and adiabatic third ionisation potential of HNCO, as determined by photoelectron spectroscopy. The formyl ion and nitrogen radical are formed in the ground state, which requires predissociation of a quartet molecular ion of HNCO.A heat of formation δHf(HNCO)g = -25 ± 3 kcal mol·1 was determined from the appearance potential and kinetic energy release for the metastable ion [HCO]+, and from the difference in appearance potentials for the ion [NH]+· produced from the isoelectronic molecules HNCO and HN3.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210100407
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  • 97
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    Fragmentation d'azoles sous l'impact electronique VII -N-ethylbenzimidazoles (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 313-316 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Carbon-13 and deuterium labelling experiments show that the [M — CH3]+ ion observed in the mass spectrum of l-ethylbenzimidazole rearranges quantitatively to a quinoxalinium structure prior to HCN loss.
    Notes: Par marquages isotopiques (13C et D), on montre que l'ion [M — CH3]+ observé dans le spectre de masse du l-éthylbenzimidazole se réarrange quantitativement en une structure quinoxalinium avant l'élimination d'acide cyanhydrique.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210100409
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  • 98
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    Substituent effects in mass spectra of monosubstituted benzils (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 295-312 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of a series of thirteen m- and p-substituted benzils have been determined at several ionising voltages below 20 eV and at 70 eV. At ionising voltages up to 5 eV above the ionisation potentials the benzil molecular ions decompose entirely by two pathways to give substituted and unsubstituted benzoyl ions. Fractional intensities of the molecular ion (FM), substituted (FX) and unsubstituted (FH) benzoyl ions were obtained for each benzil as a function of energy from measured ionisation efficiency curves, and ionisation and appearance potentials for all major ions determined from the ionisation efficiency curves by a semilogarithmic method. Various correlations of ion intensity and energy parameters with δ+ and δ constants are examined; these are generally poor. Fair correlations are obtained between log (FX/FH) or (AP(XC6H4CO)+ - AP(C6H5CO)+) and δ or δ+, and these are interpreted in terms of the expected effect of substituents on the stabilities of the product ions in the decompositions. A good correlation is observed between log (FX/FH) and AP(XC6H4CO)+ · AP(XC6H5CO)+; this suggests that substituents affect FX/FH mainly by changing the activation energies for the competing decompositions of the molecular ions. The competitive shift has a marked effect on these appearance potentials so that in this system AP - IP is not a good measure of the activation energy for the primary decompositions.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210100408
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  • 99
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    Der massenspektrometrische zerfall von naphthalin-2.1-diazooxid (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. 317-319 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The electron-impact-induced fragmentation of naphthalene-2,1-diazooxide shows the stepwise elimination of N2 and CO like other α-diazoketones. From the mass spectrum of lh13C-naphthalene-2,1-diazooxide, it is concluded that no oxirene species participates in the [M — N2]+· ions.
    Notes: Napthalin-2,1-diazooxid eliminiert unter Elektronenstoα---wie andere α-Diazoketone-schrittweise N2 und CO. Das Massenspektrum von 1-13C-Naphtalin-2.1-diazooxid zeigt, daß keine Oxiren-Spezies zu den [M — N2]+·-Ionen beiträgt.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210100410
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  • 100
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    Biographical note (1975)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1975), S. v 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210100412
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