THE ELECTRIC PROPERTY OF SINGLET CARBENE AND ITS ISOELECTRONIC SYSTEM^1——Electrophilic and Nucleophilic Directions of an Atom in the Molecule

摘要

The electrostatic potential of carbene and nitrene,have been calculated by ABINITIO method with 6-31G** basis set,there are positive potential regions in the directionsof vacant P orbitals,and negative regions in the directions of lone-pair electrons.Therefore,atoms in these molecules have different electric properties in differentdirections.The idea of electrophilic and nucleophilic directions of an atom in moleculesshould be introduced.