Issue 9, 2010

Structural isotope effects in metal hydrides and deuterides

Abstract

Historically the extraction of high-quality crystallographic information from inorganic samples having high hydrogen contents, such as metal hydrides, has involved preparing deuterated samples prior to study using neutron powder diffraction. We demonstrate, through direct comparison of the crystal structure refinements of the binary hydrides SrH2 and BaH2 with their deuteride analogues at 2 K and as a function of temperature, that precise and accurate structural information can be obtained from rapid data collections from samples containing in excess of 60 at.% hydrogen using modern high-flux, medium resolution, continuous wavelength neutron powder diffraction instruments. Furthermore, observed isotope-effects in the extracted lattice parameters and atomic positions illustrate the importance of investigating compounds in their natural hydrogenous form whenever possible.

Graphical abstract: Structural isotope effects in metal hydrides and deuterides

Supplementary files

Article information

Article type
Paper
Submitted
14 Jul 2009
Accepted
04 Dec 2009
First published
15 Jan 2010

Phys. Chem. Chem. Phys., 2010,12, 2083-2088

Structural isotope effects in metal hydrides and deuterides

V. P. Ting, P. F. Henry, H. Kohlmann, C. C. Wilson and M. T. Weller, Phys. Chem. Chem. Phys., 2010, 12, 2083 DOI: 10.1039/B914135A

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