Density functional calculations of methyllithium, t-butyllithium, and phenyllithium oligomers: Effect of hyperconjugation on conformation

The oligomers of methyllithium, t-butyllithium, and phenyllithium are studied by using density functional theory. The comparison of atomic charges among the oligomers indicated that lithium charges are almost independent of the size of the oligomer or the identity of the ligand.