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Inter‐ and intramolecular force constants of some trihalides of the fifth group in the gas, liquid and solid
Author(s) -
Kondyurin Alexey,
Byelousova Nadezhda,
Byelousova Sofia,
Kozulin Alexander
Publication year - 1993
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250241203
Subject(s) - intramolecular force , intermolecular force , raman spectroscopy , molecule , chemistry , lattice constant , force constant , crystal (programming language) , atom (system on chip) , diagonal , lattice (music) , molecular physics , computational chemistry , diffraction , physics , quantum mechanics , stereochemistry , geometry , mathematics , organic chemistry , computer science , acoustics , embedded system , programming language
The Raman spectra of trihalides of the Fifth Group, BiCl 3 , AsCl 3 , AsBr 3 , SbBr 3 and PCl 3 , in the gas, liquid and solid were obtained. A normal coordinate analysis was performed. The intermolecular force constants were calculated from variations of the intramolecular force constants of the molecule during the phase transition. The half‐periods of librations in the liquid and lattice frequencies in the crystal were calculated and the lattice spectrum of the crystal was interpreted. It is shown that for a heavy central atom the calculation of intermolecular force constants may be performed in the approximation of a diagonal potential energy matrix. For a light central atom such an approximation may be used only for estimates. In this case the use of a complete potential energy matrix of a molecule is necessary for an accurate calculation.