Journal of molecular structure

A combined ab initio and gas-phase electron diffraction investigation of the molecular structure and conformation of (silylmethyl) cyclopropane

M Dakkouri, T Hermann

Index: Dakkouri, Marwan; Hermann, Thomas Journal of Molecular Structure, 1995 , vol. 346, p. 239 - 248

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Citation Number: 14

Abstract

The molecular structure and conformational composition of (silylmethyl) cyclopropane (SMCP), C3H5 CH2 SiH3, with respect to the Cring CH2 and the CH2 Si axes have been studied by gas-phase electron diffraction and ab initio calculations using a 6-31G∗ basis set. The conformational analysis, with respect to the Cring C bond, has shown that the gauche (skew) form is the predominant conformation (> 98%) in the gas phase. A ...