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Structure of tetracoordinated sulphur compounds. Model calculations on SH4 and SF2H2

1976; Elsevier BV; Volume: 37; Issue: 1 Linguagem: Inglês

10.1016/0009-2614(76)80155-8

1873-4448

Rolf Gleiter, A. Veillard,

Inorganic Fluorides and Related Compounds

The structure of the hypothetical sulphuranes SH4 and SF2H2 is investigated through ab initio LCAO MO SCF calculations. In contrast to a recent report the structure of lowest energy for SH4 is of C4V symmetry. For SF2H2 a structure of C2V symmetry with axiai fluorine atoms is predicted. These results have been rationalized on the basis of perturbation theory.