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

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.