A theoretical investigation of the isomers of diazomethane (CH₂N₂). II. One-electron properties

Abstract

Use has been made of calculated one-electron properties to gain a better understanding of the electronic structure of five related molecules, the isomers of diazomethane.     Localized exclusive orbitals have been used to assist in the interpretation of ¹⁴N quadrupole coupling constants and the total dipole moment associated with each molecule.