Carbocation-π interaction: evaluation of the stabilization by phenylalanine of a biochemical carbocation intermediate.

Abstract

Computational analyses, using primarily density functional theory, have been used to determine the stabilization associated with the carbocation-π interaction of a biochemical carbocation intermediate binding to a phenylalanine residue in an enzyme active site. Studies of complexation between t-butyl cation and ethylbenzene, and of a model of a carbocation… (More)