Molecular and electronic structure of selenium and tellurium tetrahalides

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Abstract

Molecular and electronic structures of MX4 (M = Se, Te: X = F, Cl) were studied by the ab initio method with extended basis sets. The study is aimed at supplementing very scarce experimental information about these molecules. The results indicate that all molecules favour distorted disphenoidal geometries (C2v point group) in preference to a C4v geometry. A possibly interesting phenomenon of energy stabilisation by having bonds of different polarities within the same molecule has been observed in SeCl4 and TeCl4.

Original languageEnglish
Pages (from-to)431-434
Number of pages4
JournalHeteroatom Chemistry
Volume3
Issue number4
DOIs
Publication statusPublished - 1992

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