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Water: Facts without Myths
Water 2010, 2(3), 333-350; doi:10.3390/w2030333
Review

X-ray and Neutron Diffraction in the Study of Organic Crystalline Hydrates

 and *
Received: 18 June 2010; in revised form: 5 July 2010 / Accepted: 6 July 2010 / Published: 9 July 2010
(This article belongs to the Special Issue Water: Facts without Myths)
Download PDF [761 KB, uploaded 9 July 2010]
Abstract: A review. Diffraction methods are a powerful tool to investigate the crystal structure of organic compounds in general and their hydrates in particular. The laboratory standard technique of single crystal X-ray diffraction gives information about the molecular conformation, packing and hydrogen bonding in the crystal structure, while powder X-ray diffraction on bulk material can trace hydration/dehydration processes and phase transitions under non-ambient conditions. Neutron diffraction is a valuable complementary technique to X-ray diffraction and gives highly accurate hydrogen atom positions due to the interaction of the radiation with the atomic nuclei. Although not yet often applied to organic hydrates, neutron single crystal and neutron powder diffraction give precise structural data on hydrogen bonding networks which will help explain why hydrates form in the first place.
Keywords: hydrate; single crystal diffraction; powder diffraction; neutrons; X-ray hydrate; single crystal diffraction; powder diffraction; neutrons; X-ray
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Fucke, K.; Steed, J.W. X-ray and Neutron Diffraction in the Study of Organic Crystalline Hydrates. Water 2010, 2, 333-350.

AMA Style

Fucke K, Steed JW. X-ray and Neutron Diffraction in the Study of Organic Crystalline Hydrates. Water. 2010; 2(3):333-350.

Chicago/Turabian Style

Fucke, Katharina; Steed, Jonathan W. 2010. "X-ray and Neutron Diffraction in the Study of Organic Crystalline Hydrates." Water 2, no. 3: 333-350.


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