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Issue 3, 2016
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H-bond competition experiments in solution and the solid state

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Abstract

The H-bonding outcomes in crystal structures of simple molecules, where two potential H-bonds can be formed, have been used to calculate relative H-bond probabilities for 59 combinations of H-bond donors and H-bond acceptors. H-bond probabilities are shown to correlate well with the difference in solution phase free energy between the two competing H-bonds.

Graphical abstract: H-bond competition experiments in solution and the solid state

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Article information


Submitted
13 Nov 2015
Accepted
27 Nov 2015
First published
21 Dec 2015

This article is Open Access

CrystEngComm, 2016,18, 394-397
Article type
Communication

H-bond competition experiments in solution and the solid state

J. McKenzie, N. Feeder and C. A. Hunter, CrystEngComm, 2016, 18, 394
DOI: 10.1039/C5CE02223A

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