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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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Publication details

The article was received on 13 Nov 2015, accepted on 27 Nov 2015 and first published on 21 Dec 2015


Article type: Communication
DOI: 10.1039/C5CE02223A
CrystEngComm, 2016,18, 394-397
  • Open access: Creative Commons BY license
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    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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