Issue 3, 2016

H-bond competition experiments in solution and the solid state

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

Supplementary files

Article information

Article type
Communication
Submitted
13 Nov 2015
Accepted
27 Nov 2015
First published
21 Dec 2015
This article is Open Access
Creative Commons BY license

CrystEngComm, 2016,18, 394-397

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

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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