Published January 1988 | Version v1
Journal article

On development of interacting bonds method for calculation of normal vibrations of inorganic molecules

  • 1. AN SSSR, Novosibirsk. Inst. Kataliza

Description

The method of interacting bonds (IBM) is used to develop a new method of calculating all matrix elements of force constants in Cartesian coordinates. The method is tested when calculating vibration frequencies of 22 Si compounds of the SiX4, SiX3Y, SiX2Y2(X,Y=F, Cl, Br, I) type. The maximum deviation of the calculated frequencies on experimental valence vibration frequencies is 40 cm-1. The deviations have no systematic nature. The above method should be used to find zero approximation of force constants of inorganic molecules for the following specification when solving reverse spectral problems, and to estimate vibration frequencies of different unstable molecules

Additional details

Additional titles

Original title (Russian)
О развитии метода взаимодействующих связей для расчета нормальных колебаний неорганических молекул

Publishing Information

Journal Title
Zhurnal Strukturnoj Khimii
Journal Volume
29
Journal Issue
1
Series
Zh. Strukt. Khim.
Journal Page Range
56-61
ISSN
0136-7463
CODEN
ZSTKA