Molecular and electronic structure of benzeneselenenyl molecules and cations

Abstract

AbstractMolecular and electronic structures of a select group of molecules and cations, including benzeneselenenyl chloride, benzeneselenenyl bromide, and benzeneselenol have been studied using ab initio calculations at the Hartree–Fock and MP2 levels of theory. Very few experimental data are available for this class of compounds. The properties and structures of these molecules are compared. © John Wiley & Sons, Inc.