Issue 78, 2014
From the journal:

Chemical Communications

Covalency of hydrogen bonds in solids revisited†

Volker L. Deringer,a   Ulli Englert*a  and  Richard Dronskowski*ab  

* Corresponding authors

a Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056 Aachen, Germany
E-mail: ullrich.englert@ac.rwth-aachen.de, drons@HAL9000.ac.rwth-aachen.de
Fax: +49 241 8092288

b Jülich–Aachen Research Alliance (JARA-HPC), RWTH Aachen University, 52056 Aachen, Germany

Abstract

The covalent nature of short hydrogen bonds has been under debate for long. Here we show that the crystal orbital Hamilton population (COHP) bonding indicator gives new, complementary evidence of covalent hydrogen⋯acceptor interactions in the molecular solid state.

Graphical abstract: Covalency of hydrogen bonds in solids revisited

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Article information

DOI
https://doi.org/10.1039/C4CC04716H
Article type
Communication
Submitted
20 Jun 2014
Accepted
07 Aug 2014
First published
08 Aug 2014

Chem. Commun., 2014,50, 11547-11549

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Covalency of hydrogen bonds in solids revisited

V. L. Deringer, U. Englert and R. Dronskowski, Chem. Commun., 2014, 50, 11547 DOI: 10.1039/C4CC04716H

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