Infrared spectrum and force field of tungsten hexachloride

Abstract

Infrared spectra of W 35Cl 6 and W 37Cl 6, prepared from 99.4% 35Cl and 90.4% 37Cl respectively, were recorded in CCl 4 and CS 2 solutions. The isotope shifts in the F 1u fundamentals ν 3 and ν 4 were used to determine the general quadratic symmetry force constants of WCl 6 the force field obtained is-quite different from several that have been previously reported using various approximation methods. Corresponding valence force constants are f r = 2.39 f rr = 0.24, f rr' = 0.16, and f α - f αα' (⋍f α) = 0.15 mdyn A −1. These constants are compared with those of WF 6