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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 94 (1990), S. 4507-4509 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1572-901X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Complexes of Cu(glygly)phen λygly = glycylglycine; phen = 4,7-dimethyl [(1)], 5,6-dimethyl [(2)], 5-NO2[(3)], 5-Cl[(4)], 2-oxazolinyl (2-ox) [(5)] Phenanthroline and bis(2-oxazolinylphenanthroline)-copper(II) [(6)] were synthesized and characterized by conductivity measurements, e.p.r., i.r. and reflectance electronic spectroscopies. A broad u.v.-vis. band in the 620–640 nm range and a shoulder at ca. 825 nm suggest that these complexes are five-coordinate. The e.p.r. spectra indicate a stronger equatorial ligand field in the ternary complexes which is absent in the binary Cu-phen complexes, suggesting square pyramidal coordination, whose base contains the three donor atoms from glygly (O, N, N) and one donor from the phenanthroline nitrogen atom. The other nitrogen-containing ligand of the phenanthroline is in an apical position. The spectroscopic results can be correlated with electronic and steric effects attributable to the different substituents on the phenanthroline ligands. Only small variations in the structure of the ternary complexes occur as a function of the electronic effects of substituents on the aromatic phenanthroline ring ligands. Steric hindrance predominates in determining coordination geometry around copper(II).
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 25 (1987), S. 970-974 
    ISSN: 0749-1581
    Keywords: 1H NMR ; 13C NMR ; isoproterenol ; spin-lattice relaxation rates ; conformation in solution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C and 1H NMR parameters were measured for isoproterenol in solution. Spin-lattice relaxation rates were considered and C-H and H-H J couplings were determined. The t rotamer was shown to occur in a much greater abundance than the two g rotamers. Dynamics in solution were interpreted in terms of a nearly isotropic motion of the α-hydroxyphenethyl moiety and of a high degree of flexibility of the isopropyl moiety, Relevant distances and dipolar connectivities were measured and used to build up a Dreiding model of the most probable conformation.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 26 (1988), S. 1041-1046 
    ISSN: 0749-1581
    Keywords: 1H NMR ; 13C NMR ; Ranitidine ; Spin-lattice relaxation rates ; Conformation in solution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Conformational and dynamic features of ranitidine were delineated by 1H and 13C NMR 1D and 2D spectroscopy. Spin-lattice relaxation rates and homo- and hetero-nuclear NOEs were measured. An extended conformation was shown to predominate in solution, with restricted segmental motion. The main reorientational motion and some of the internal motions were characterized in terms of stochastic internal motion around a molecular axis that reorients isotropically. Selective irradiation methods were used to obtain relevant conformational parameters.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 31 (1993), S. 254-258 
    ISSN: 0749-1581
    Keywords: Multifrequency ESR and NMR ; Metal-ATP interaction ; Correlation times ; Nuclear relaxation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Multifrequency ESR analysis allows a new interpretation of the correlation times involved in nuclear relaxation. In this study the metal-ATP interaction, so important in ecosystem energy mechanisms, was interpreted in the light of new multifrequency ESR and NMR experimental data. ESR spectra of the Mn(II)-ATP complex were recorded at 2-4 GHz (S-band), 9 GHz (X-band) and 35 GHz (Q-band). A loop-gap resonator was used to enhance the ηQ0 product at low frequencies. The ESR line shapes at different temperatures and frequencies led to the interpretation of the predominant relaxation mechanism involved. The NMR relaxation rates, also recorded at different temperatures and frequencies, are discussed in terms of a motional model taking into account a distribution of correlation times. Structural and dynamic features were analysed in order to determine the effective correlation time contributing to nuclear paramagnetic relaxation. A comprehensive analysis of the multifrequency ESR spectra is crucial for the correct interpretation of the NMR spectra and of the metal-ATP interaction.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 27 (1989), S. 223-226 
    ISSN: 0749-1581
    Keywords: Oligosaccharides ; Conformations ; Gentiobiose octaacetate ; Nuclear magnetic relaxation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Gentiobiose octaacetate, a disaccharide molecule, was investigated in order to define (i) the proton and carbon assignments and chemical shift values, (ii) the carbon relaxation behaviour in DMSO solution and (iii) the dynamic properties of the molecule. It was found that in solution it behaves like a rigid molecule characterized by an unique isotropic correlation time. Scalar coupling constant analysis allowed the identification of the H-6 axial and H-6 equatorial protons for both sugar ring moieties.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 29 (1991), S. 933-935 
    ISSN: 0749-1581
    Keywords: 1H NMR ; Imipramine conformation in solution ; Self-association ; Dimerization constant ; Motional correlation times ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Proton NMR measurements were performed and 1H—1H dipolar interaction energies were measured to delineate the conformation of imipramine in solution. Self-association of imipramine into dimers was observed and a dimerization constant of 121 mol-1 was calculated. The motional correlation times for the monomer and the dimer were calculated at τcm = 0.18 ns and τcd = 0.36 ns, respectively. The geometry of the self-stacked dimer was analysed by measuring intermolecular dipolar cross-relaxation rates and interpreted in terms of the conformation of the aminoalkyl moiety.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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