Journal of Organometallic Chemistry

The effect of methyl substitution on the electronic structure of bis (dimethyl ether) pentadienyllithium

JF Sebastian, B Hsu, JR Grunwell

Index: Sebastian,J.F. et al. Journal of Organometallic Chemistry, 1976 , vol. 105, p. 1 - 7

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Citation Number: 12

Abstract

Abstract The partially geometry-optimized structure of bis (dimethyl ether) pentadienyllithium has been calculated by the CNDO/2 method. The metal—anion interaction involves both σ and π bonding. The effect of methyl Substitution on the electronic structure of the solvated species has been evaluated. In general, the electronic effect of a methyl group is substantially less for the solvated structure than for the isolated anion.