Ligand-Field Treatment of the Jahn—Teller Distortion in VCl4

Abstract

A ligand‐field treatment of the Jahn—Teller distortion in VCl₄ is developed using perturbation methods. Several of the results are at variance with those obtained earlier by means of the electrostatic crystal field model, and are in substantial agreement with some recent molecular orbital calculations. It is found that distortions are of the same order of magnitude as the relevant zero‐point vibrational energies so that no ``static'' effect can be expected. This is in accordance with the available experimental evidence. Our results suggest certain splittings in the infrared and Raman spectrum of VCl<sub>4</sub>. On the basis of the present experimental evidence the consequences of such a ``dynamic'' Jahn—Teller effect can neither be confirmed nor contradicted with certainty.