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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 385-392 
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effects of alkaline metals and halogen substituent on the vibrational structure of m-halogenobenzoates have been investigated by Infrared (IR), Raman, and quantum chemical methods. A complete assignments of vibrational spectra are based on the previous literature data and present theoretical approach. A good correspondence between experimental and calculated (density functional theory) vibrational spectra has been observed. The changes in vibrational structure caused by halogen substituent indicate perturbation of the electronic charge distribution in the aromatic ring. The effect of alkaline metal is much weaker and hidden by overwhelming effect of halogen. A linear relationships between vibrational frequencies of selected bands and ionic potential as well as electronegativity of halogen substituent have been established. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 62: 385-392, 1997
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 17 (1986), S. 17-22 
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Raman spectra of benzoic acid, sodium benzoate and complexes of lanthanides with benzoic acid, of general formula Ln(Obz)3 (Ln = lanthanum, neodymium, terbium, dysprosium or lutetium; OBz = benzoic acid radical) were recorded. The Raman bands of lanthanide benzoates were interpreted on the basis of the Raman and IR spectra. Analysis of benzene ring vibrations, active in the Raman and IR spectra, and electronic transitions in the UV and visible spectra provided information on the effect of metal coordination on the aromatic system of benzoic acid.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 24 (1993), S. 819-824 
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Assignments are proposed for the IR and Raman spectra of potassium, zinc and mercury(II) nicotinates and for the UV-visible spectra of the f → f transition for erbium nicotinate. The influence of K, Zn, Hg(II), Nd(III), Dy(III) and Er(III) on the aromatic system of nicotinic acid was studied. There are essential differences in the number, wavenumber and intensity of aromatic system bands in the ranges of the ring modes, (1610-1400 cm-1), γ(CH) (970-700 cm-1) and Φ(CC) (700-650 cm-1), depending on the central ion. Potassium and mercury(II) perturb but lanthanides stabilize the aromatic system of nicotinic acid. The wavenumbers and intensities of some vibrational bands of the aromatic system depend systematically on the ionic potentials of the metals.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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