A Molecular Orbital Study of Silylated Carbenes
- 1 March 1978
- journal article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 51 (3) , 811-814
- https://doi.org/10.1246/bcsj.51.811
Abstract
The geometry and electronic properties of methylene, methylcarbene, carboxycarbene, phenylcarbene, trimethylsilylcarbene, silylcarbene, carboxysilylcarbene, and phenylsilylcarbene have been determined by MINDO/3 calculation. Introduction of a silyl group results in considerable decrease in ionization potential of carbenes. The electron affinity is increased to some extent by such substitution. The computation suggests a bent geometry for optimized triplet trimethylsilylcarbene structure, in conflict with a recent postulate that the ground-state molecule has an essentially linear structure.This publication has 29 references indexed in Scilit:
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