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High-pressure single-crystal X-ray diffraction facilities on station 9.8 at the SRS Daresbury Laboratory - hydrogen location in the high-pressure structure of ethanol

DOI: 10.1107/S0909049500018677 DOI Help
PMID: 11486490 PMID Help

Authors: D.r. Allan (Diamond Light Source) , S Parsons (School of Chemistry, The University of Edinburgh, U.K.) , S. J. Teat (CCLRC Daresbury Laboratory, U.K.)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Synchrotron Radiation , VOL 8 , PAGES 10-17

State: Published (Approved)
Published: January 2004

Abstract: A new high-pressure single-crystal diffraction facility has been constructed on station 9.8 at the Synchrotron Radiation Source, Daresbury Laboratory, for a range of studies on a variety of systems of relevance to physics, chemistry and materials science that would otherwise prove intractable with conventional laboratory-based methods. The station has been equipped with a modified Enraf-Nonius CAD4 four-circle diffractometer for high-pressure studies which can be conveniently, and rapidly, interchanged with the Bruker SMART CCD area-detector system when more routine ambient-pressure diffraction work is to be undertaken. This rapid change-over has been achieved by permanently mounting the CAD4 on its own jacking table, formerly used for the station's white-beam diffraction mode, which allows the alignment of the SMART diffractometer to remain undisturbed when the CAD4 is in use. Early results on the test low-melting-point compound ethanol (CH3CH2OH) reveal that excellent refined structures can be obtained, including the location and refinement of the H atoms, demonstrating that one of the original, and major, objectives of the station has been accomplished.

Journal Keywords: High Pressure; Single-Crystal X-Ray Diffraction; Ethanol.

Subject Areas: Chemistry

Facility: Daresbury Laboratory, U.K.

Added On: 01/04/2012 13:27

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