Issue 9, 2006

The electronic structure of nitrilimine: absence of the carbenic form

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.

Graphical abstract: The electronic structure of nitrilimine: absence of the carbenic form

Supplementary files

Article information

Article type
Communication
Submitted
01 Dec 2005
Accepted
04 Jan 2006
First published
24 Jan 2006

Chem. Commun., 2006, 1030-1032

The electronic structure of nitrilimine: absence of the carbenic form

F. Cargnoni, G. Molteni, D. L. Cooper, M. Raimondi and A. Ponti, Chem. Commun., 2006, 1030 DOI: 10.1039/B517030C

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