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  • 1
    Electronic Resource
    Electronic Resource
    Beiträge zur Chemie des Phosphors, 121. Li2P16 durch nucleophile Spaltung von weißem Phosphor mit Lithium-dihydrogenphosphid (1983)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 116 (1983), S. 1268-1270 
    Details
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Contributions to the Chemistry of Phosphorus, 121. Li2P16 via Nucleophilic Cleavage of White Phosphorus with Lithium DihydrogenphosphideDilithium hexadecaphosphide (1) is easily obtained as the solvent adduct Li2P16.8 THF by the reaction of white phosphorus with lithium dihydrogenphosphide (1.92:1) in boiling tetrahydrofuran.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19831160339
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  • 2
    Electronic Resource
    Electronic Resource
    Infrared spectra and conformation of methyl-substituted benzoic acidsPresented in part at the VIth International Conference on Correlation Analysis in Chemistry, Prague, 5-9 September 1994. (1998)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 11 (1998), S. 141-148 
    Details
    ISSN: 0894-3230
    Keywords: methylbenzoic acids ; infrared spectra ; conformation ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Infrared spectra of all isomers of polymethyl-substituted benzoic acids were recorded in the carbonyl and hydroxyl regions in tetrachloromethane at various concentrations and interpreted in terms of conformation. According to a plot of ν(C=O) of the monomeric form vs Hammett substituent constants σ, these compounds may be classified into two classes. Derivatives with none or only one methyl group in the ortho position are concluded to exist in an equilibrium of two planar conformations, unless the equilibrium is degenerate. Derivatives with two ortho-situated methyl groups are concluded to take up one non-planar conformation. These findings are supported by the shape of the hydroxyl and carbonyl bands, which are unsymmetrical in the former class, although they could not be reliably separated into bands pertinent to the individual conformers. This conclusion is at variance with the common interpretation which has invariably ascribed to these and similar ortho derivatives non-planar conformations with a variable torsional angle. © 1998 John Wiley & Sons, Ltd.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Die Chemie der Hydroxamsäuren und N-Hydroxyimide (1974)
    Weinheim : Wiley-Blackwell
    Zeitschrift für die chemische Industrie 86 (1974), S. 419-428 
    Details
    ISSN: 0044-8249
    Keywords: Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Dieser Fortschrittsbericht behandelt in erster Linie Probleme der Struktur und der Reaktionen der Hydroxamsäuren und N-Hydroxyimide und gibt außerdem einen kurzen Überblick über einige der biologischen Wirkungen dieser Verbindungen. Besondere Bedeutung unter den Reaktionen hat die Lossen-Umlagerung von O-acylierten Hydroxamsäuren, die zu Isocyanaten oder deren Folgeprodukten führt.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/ange.19740861202
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  • 4
    Electronic Resource
    Electronic Resource
    How to get wrong results from good experimental data: a survey of incorrect applications of regression (1997)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 797-813 
    Details
    ISSN: 0894-3230
    Keywords: statistics ; regression ; correlation analysis ; incorrect data processing ; least-squares method ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Examples are given from older and more recent literature (kinetics, ionization equilibria, complex formation in solution, dipole moment determination, thermochemistry, resonance energies, NMR shifts, photoelectron spectroscopy) where experimental data were processed in an incorrect way from the point of view of statistics. The results were more or less biased, sometimes completely wrong. Corrected procedures, based entirely on the least-squares method, are reported; in several cases methods are proposed. Some hints are given as to how these mistakes can be avoided, how they can be revealed in the literature and how the literature data can be recalculated: the last task is the most difficult. © 1997 John Wiley & Sons, Ltd.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Improved method of calculating group polarization effects: constants σα (1998)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 11 (1998), S. 485-488 
    Details
    ISSN: 0894-3230
    Keywords: group polarization effects ; polarizability countants ; ab initio ; Sadlej's basis set ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: An improved model is presented for ab initio calculations of the polarizability constants σα using Sadlej's basis set. A new set of constants was calculated for common groups and these were compared with previous 3-21G and 3-21G* calculations and with some experimental equilibrium constants in the gas phase. For the time being, the calculations seem to be the most general approach for obtaining these constants whereas the experimental possibilities are limited in scope. © 1998 John Wiley & Sons, Ltd.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Steric Effects and Steric Hindrance to Resonance in tert-Butylbenzoic Acids in the Gas Phase and in Solution (1999)
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1999 (1999), S. 1589-1594 
    Details
    ISSN: 1434-193X
    Keywords: Resonance ; Hindered resonance ; Steric hindrance ; Conformation analysis ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Substituent effects of the tert-butyl group in isomeric tert-butylbenzoic acids have been investigated on the basis of enthalpies of formation, gas-phase acidities, acidities in methanol and in dimethyl sulfoxide, and the IR spectra in tetrachloromethane. In contrast to 2-methylbenzoic acid, 2-tert-butylbenzoic acid must adopt a non-planar conformation, as is confirmed by its IR spectrum. Enhanced acidity in the gas phase has been found for all isomers and attributed to a pole-induced dipole interaction in the anion (polarizability effect); in the ortho isomer the steric inhibition of resonance is only responsible for a minor part of the observed effect. In solution, the electrostatic interaction is attenuated, but remains strong in the case of the ortho isomer.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Synthesen mit aliphatischen Dialdehyden, XLII. (2,4,6-Cycloheptatrien-1-yliden)malonaldehyd (8,8-Diformylheptafulven)  -  Herstellung, Struktur und Reaktionen (1985)
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1985 (1985), S. 1997-2011 
    Details
    ISSN: 0170-2041
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Syntheses with Aliphatic Dialdehydes, XLII.  -  (2,4,6-Cycloheptatrien-1-ylidene)malonaldehyde (8,8-Diformylheptafulvene)  -  Synthesis, Structure, and Reactions8,8-Diformylheptafulvene (5) was synthesized for the first time by hydride abstraction from sodium salts of(cycloheptatrienyl)malonaldehydes (2 and 3). In solution, 5 exists in a solventdependent equilibrium with its valence isomer 6. The structure of 5 was determined by means of its 1H and 13C NMR spectrum, dipole moment (5.24 D), and an X-ray analysis; its dipole moment and chemical reactivity were also estimated by MNDO calculations.  -  Reactions of 5 with electrophiles (→7) and with nucleophiles (→ 8 - 14 are described.
    Notes: 8,8-Diformylheptafulven (5) wurde zum ersten Mal hergestellt durch Hydridabstraktion aus (Cycloheptatrienyl)malonaldehyd-Natriumsalzen (2 und 3). 5 steht in Lösung mit dem Valenzisomeren 6 in einem lösungsmittelabhängigen Gleichgewicht. Die Struktur von 5 wurde durch 1H- und 13C-NMR-Spektrum, Dipolmoment (5.24 D) sowie eine Röntgenstrukturanalyse gesichert; Dipolmoment und chemische Reaktivität wurden auch durch MNDO-Berechnungen abgeschätzt. - Reaktionen von 5 mit Elektrophilen (→7) und mit Nucleophilen (→8 - 14) werden beschrieben.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jlac.198519851008
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  • 8
    Electronic Resource
    Electronic Resource
    Correlation of oxygen-17 substituent-induced chemical shifts: Meta- and para-substituted methyl benzoates (1992)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 30 (1992), S. 381-386 
    Details
    ISSN: 0749-1581
    Keywords: 17O NMR ; Methyl benzoates ; Substituent effects ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Oxygen-17 NMR spectra of 45 substituted methyl benzoates in acetonitrile were measured at natural abundance. The substituent-induced chemical shifts (SCS) of the carbonyl oxygen correlate well with the σm and σp+ substituent constants in two separate correlations for meta and para derivatives; principal component analysis (PCA) is only slightly better [particularly for the N(CH3)2 substituent]. The 17O SCS generally depend on the same factors as the 13C SCS of the β-carbon of alkenes, provided comparison is made between compounds of similar polarity. SCS of the methoxyl oxygen depend less precisely on σm or σp, with some unexplained deviations.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260300505
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  • 9
    Electronic Resource
    Electronic Resource
    Correlation of carbon-13 substituent-induced chemical shifts revisited: Meta- and para-substituted benzonitriles (1989)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 27 (1989), S. 27-36 
    Details
    ISSN: 0749-1581
    Keywords: Benzonitriles ; 13C NMR ; Substituent effects ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon-13 NMR spectra are reported for 63 substituted benzonitriles in deuteriochloroform or in its mixture with dimethyl sulphoxide-d6. The substituent-induced chemical shifts (SCS) of the CN carbon correlate well with dual substituent parameters (DSP) in the para series but poorly in the meta series, whichever parameters are used. The DSP treatment was found to be inferior to principal component analysis (PCA), using as a probe 29 sets of literature data on α,β-unsaturated benzene derivatives. Whereas one component is sufficient for meta derivatives, two terms are needed for para derivatives, which are different for the α- and β-positions. The constants derived by PCA could be in principle used to predict further SCS, but their scope must be still explored.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260270106
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  • 10
    Electronic Resource
    Electronic Resource
    Correlation of carbon-13 substituent-induced chemical shifts: Meta- and para-substituted methyl benzoates (1989)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 27 (1989), S. 585-591 
    Details
    ISSN: 0749-1581
    Keywords: Methyl benzoates ; 13C NMR ; Substituent effects ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon-13 NMR spectra are reported for 69 substituted methyl benzoates in deuteriochloroform or in its mixture with dimethyl sulphoxide-d6. The substituent-induced chemical shifts (SCS) of the CO carbon correlate poorly with dual substituent parameters (DSP) in all possible modifications, and for meta derivatives in particular this correlation is both overpara meterized and imprecise. A much better correlation was obtained with parameters (designated Bm, Bp and Cp) derived previously by principal component analysis (PCA) from a larger set. The SCS of the CH3 carbon correlate very well with the original simple Hammett equation, and no DSP treatment is needed. The clustering of substituents is not consequential in such a large set.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260270612
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