Journal
CRYSTENGCOMM
Volume 16, Issue 7, Pages 1232-1236Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3ce42070a
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Funding
- EPSRC [EP/E050859, EP/E051049, EP/I033459]
- Engineering and Physical Sciences Research Council [EP/E050859/1] Funding Source: researchfish
- EPSRC [EP/E050859/1] Funding Source: UKRI
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The potential of neutron powder diffraction (NPD) to provide vital information on the determination of accurate hydrogen positions in organic molecular crystals is demonstrated through the study of a series of hydrogen bonded molecular complexes with relevance in crystal engineering. By studying complexes designed to contain short, strong hydrogen bonds, the findings are shown to be of particular importance in the study of proton transfer, and the often critical distinction between neutral complexes and salts in these molecular materials. The use of combined NPD and single crystal X-ray diffraction is shown to be particularly potent in this area.
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