## Abstract Eight hypothetical persulfurane molecules of the type X~2~SY~4~ (X, Y = H, F, Me) have been studied by ab initio MO calculations at the G3(MP2) level of theory. Depending on the substituents either the __cis__ or the __trans__ isomers of these octahedral molecules are most stable. While
Structure of tetracoordinated sulphur compounds. Model calculations on SH4 and SF2H2
β Scribed by R. Gleiter; A. Veillard
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 600 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The structure of the hypothetical sulph~an~s SK4 and Sf;zHz is investigtcd through ab initio LCAO MO SCF crllculations. ln contrast to a recent repot! the structure of lowcsr encrfy for S!i,: is of Qy symmc~y. For SFz!4= 2 strucluri! of Czv symmetry \tith asiai Ouorine atoms is predicted. These results h&w been rationalized on the basis of perturbation theory.
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