Issue 16, 2004

The electronic structure of nitrilimines revisited

Abstract

A combination of density-functional theory and natural resonance theory has been used to show that a complete description of the electronic structure of nitrilimines, R1CNNR2, requires four resonance structures (propargylic, allenic, 1,3-dipolar and carbenic); appropriate substituents were shown to enhance the carbene character of nitrilimines to the point where they may be considered stable carbenes.

Graphical abstract: The electronic structure of nitrilimines revisited

Supplementary files

Article information

Article type
Communication
Submitted
18 May 2004
Accepted
28 May 2004
First published
30 Jun 2004

Chem. Commun., 2004, 1862-1863

The electronic structure of nitrilimines revisited

R. C. Mawhinney, H. M. Muchall and G. H. Peslherbe, Chem. Commun., 2004, 1862 DOI: 10.1039/B407302A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements