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DOI: 10.1039/A902915J (Paper) Reference Section for: J. Chem. Soc., Dalton Trans., 1999, 2293-2302

The synthesis of C[Si(CH3)2X]3SiX3 compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH3)2H]3SiH3 in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations[hair space]†

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Carole A. Morrison, David W. H. Rankin, Heather E. Robertson, Paul D. Lickiss and Phindile C. Masangane

Abstract

A series of new hexafunctional tetrasilylmethane derivatives, C[Si(CH3)2X]3SiX3, have been prepared. In addition a comprehensive structural study of the parent compound C[Si(CH3)2H]3SiH3 has been undertaken. A full search of the potential energy surface has been performed ab initio. Results indicate the presence of a total of eleven distinct conformational minima with a total energy range of only 3 kJ mol–1, with evidence for appreciable energy barriers to internal rotation. The analysis of gas-phase electron diffraction data has been undertaken for this eleven-conformer model and a satisfactory fit has been obtained.

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