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.
