Published April 1982
| Version v1
Journal article
AB INITIO investigation of force field and vibrational spectrum of the LiBeF3 molecule
- 1. Ivanovskij Khimiko-Tekhnologicheskij Inst. (USSR)
- 2. AN SSSR, Chernogolovka. Inst. Novykh Khimicheskikh Problem
Description
The calculations of the coefficients of the most general force field and dipole moment derivatives by the symmetry coordinates of the LiBeF3 molecule are made by the Hartree-Fock-Ruthane method in the Chuzinash-Dannit-(9s4p/4s2p)sub(li), (9s5p/4s2p)sub(BeF) two-exponent basis. The frequencies and the forms of the normal vibrations, the intensities in IR spectrum and the frequency shifts at isotopic substitution (6Li-7Li), are calculated. The results are compared with the data obtained for the LiBeF3 by Snelson and other scientists by the method of matrix isolation
Additional details
Additional titles
- Original title (Russian)
- AB INITIO исследование силового поля и колебательного спектра молекулы LiBeF
Publishing Information
- Journal Title
- Zh. Neorg. Khim.
- Journal Volume
- 27
- Journal Issue
- 4
- Series
- Zh. Neorg. Khim.
- Journal Page Range
- 864-867
- ISSN
- 0044-457X
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- USSR
- INIS RN
- 14740885
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- BERYLLIUM FLUORIDES; DIPOLE MOMENTS; INFRARED SPECTRA; LITHIUM FLUORIDES; MOLECULES; VIBRATIONAL STATES
- Descriptors DEC
- ALKALI METAL COMPOUNDS; ALKALINE EARTH METAL COMPOUNDS; BERYLLIUM COMPOUNDS; ENERGY LEVELS; EXCITED STATES; FLUORIDES; FLUORINE COMPOUNDS; HALIDES; HALOGEN COMPOUNDS; LITHIUM COMPOUNDS; LITHIUM HALIDES; SPECTRA
Optional Information
- Notes
- For English translation see the journal Russian Journal of Inorganic Chemistry (UK).