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Vibrations of the tetrahedral AlCl 4 − ion in crystals: An estimation of crystal environmental effects on the spectra of the chloroaluminate ion in crystals
Author(s) -
Narayanan V. Anantha
Publication year - 1989
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.1250200204
Subject(s) - ion , force constant , raman spectroscopy , chemistry , valence (chemistry) , tetrahedron , crystal (programming language) , alkali metal , spectral line , crystallography , force field (fiction) , molecular orbital , computational chemistry , molecular physics , molecule , analytical chemistry (journal) , optics , physics , organic chemistry , programming language , astronomy , computer science , quantum mechanics
Force constans for AlCl 4 − in a series of alkali metal compound crystals were calculated using an orbital valence force field. The calculated force constants were utilized to estimate, by empirical methods, the spreads in AlCl bond lengths and ClAlCl angles caused by crystalline environmental effects. They are of the order of few hundredths of an ångstrom and a few degrees, respectively. These variations are compared and correlated with the structure details available in the literature for these ions in crystals.