Computational study of 4-fluoro-4-chloro- and 4-fluoro-4-bromo-4- silathiacyclohexane S-oxides: Effect of halogen on the S = O → Si intramolecular coordination in the boat and twist conformers

International Journal of Quantum Chemistry

Volumn 107, Issue 1, 2007, Pages 189-199

  Shainyan, Bagrat A ^a  

^a A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY   (Russian Federation)

Author keywords

Intramolecular sulfinyl oxygen silicon coordination; Pentacoordinate silicon; Silathiane S oxides

Indexed keywords

COMPUTATIONAL GEOMETRY; COMPUTATIONAL METHODS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SILICON COMPOUNDS;

DENSITY FUNCTIONAL THEORY (DFT); INTRAMOLECULAR SULFINYL OXYGEN SILICON COORDINATION; PENTACOORDINATE SILICON; SILATHIANE S OXIDES; TWIST CONFORMERS;

PARAFFINS;

EID: 33751546238     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21051     Document Type: Article

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