Issue 8, 2015

Directionality of π-holes in nitro compounds

Abstract

A statistical survey of the Cambridge Structural Database reveals that the interaction between the π-holes of nitro groups and electron-rich atoms is somewhat directional. High-level ab initio computations indicate energies up to −6.6 kcal mol−1.

Graphical abstract: Directionality of π-holes in nitro compounds

Supplementary files

Article information

Article type
Communication
Submitted
15 Nov 2014
Accepted
01 Dec 2014
First published
01 Dec 2014
This article is Open Access
Creative Commons BY license

Chem. Commun., 2015,51, 1491-1493

Author version available

Directionality of π-holes in nitro compounds

A. Bauzá, T. J. Mooibroek and A. Frontera, Chem. Commun., 2015, 51, 1491 DOI: 10.1039/C4CC09132A

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