Published January 1988
| Version v1
Journal article
On development of interacting bonds method for calculation of normal vibrations of inorganic molecules
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
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- USSR
- INIS RN
- 20005269
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ACCURACY; CHEMICAL COMPOSITION; COORDINATES; MATHEMATICAL MODELS; SILICON IODIDES; STRENGTH FUNCTIONS; VIBRATIONAL STATES
- Descriptors DEC
- ENERGY LEVELS; EXCITED STATES; FUNCTIONS; HALIDES; HALOGEN COMPOUNDS; IODIDES; IODINE COMPOUNDS; SILICON COMPOUNDS