Developing the Interacting-Bond Method for Calculating Inorganic-Molecule Normal Vibrations Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 1988, Volume: 29, Number: 1, Pages: 47-51 Pages count : 5 DOI: 10.1007/BF00750175 | ||
Tags | Physical Chemistry; Inorganic Chemistry ; Normal Vibration | ||
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Abstract:
The interacting-bond method (IBM) has been used with a new method of calculating all the elements in the force-constant matrix in terms of cartesian coordinates. The method has been tested on the normal-vibration frequencies for 22 Si compounds: SiX 4, SiX3Y, SiX2Y 2 (X, Y = F, CI, Br, I). The maximum deviations between the calculated and observed stretching frequencies are 40 cm -I. These deviations are notsystematic. The method should be used to derive the zero-th approximation for the force constants for an inorganic compound for subsequent refinement in inverse spectral treatments, and also to estimate vibrational frequencies for unstable compounds.
Cite:
Bugaev V.I.
, Bulgakov N.N.
, Yurchenko E.N.
Developing the Interacting-Bond Method for Calculating Inorganic-Molecule Normal Vibrations
Journal of Structural Chemistry. 1988. V.29. N1. P.47-51. DOI: 10.1007/BF00750175 WOS Scopus РИНЦ
Developing the Interacting-Bond Method for Calculating Inorganic-Molecule Normal Vibrations
Journal of Structural Chemistry. 1988. V.29. N1. P.47-51. DOI: 10.1007/BF00750175 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Бугаев В.И.
, Булгаков Н.Н.
, Юрченко Э.Н.
О развитии метода взаимодействующих связей для расчета нормальных колебаний неорганических молекул
Журнал структурной химии. 1988. Т.29. №1. С.56-61. РИНЦ
О развитии метода взаимодействующих связей для расчета нормальных колебаний неорганических молекул
Журнал структурной химии. 1988. Т.29. №1. С.56-61. РИНЦ
Dates:
Submitted: | Sep 19, 1986 |
Published print: | Jan 1, 1988 |
Identifiers:
Web of science | WOS:A1988Q554300009 |
Scopus | 2-s2.0-34250097122 |
Elibrary | 23429642 |
OpenAlex | W2051096320 |
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