The electronic structure of nitrilimine: absence of the carbenic form

Chem Commun (Camb). 2006 Mar 7:(9):1030-2. doi: 10.1039/b517030c. Epub 2006 Jan 24.

Abstract

The electronic structure of nitrilimine HCNNH is shown to essentially be propargylic by CASSCF and Spin-Coupled (modern VB) calculations; in contrast to a recent claim, the carbenic resonance form is absent.