Issue 8, 2015

Directionality of π-holes in nitro compounds


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

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Article information

Article type
15 Nov 2014
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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