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†

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.