Issue 8, 2015
From the journal:

Chemical Communications

Directionality of π-holes in nitro compounds†

Antonio Bauzá,a   Tiddo J. Mooibroek*b  and  Antonio Frontera ORCID logo *a  

* Corresponding authors

a Department of Chemistry, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma (Baleares), Spain
E-mail: toni.frontera@uib.es
Fax: +34 971 173426

b School of Chemistry of the University of Bristol, Cantock's Close, Bristol, UK
E-mail: chtjm@bristol.ac.uk

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

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Article information

DOI
https://doi.org/10.1039/C4CC09132A
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

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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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