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Structural isotope effects in metal hydrides and deuterides

Structural isotope effects in metal hydrides and deuterides
Structural isotope effects in metal hydrides and deuterides
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
1463-9076
2083- 2088
Ting, Valeska P.
72559b76-c835-43eb-97e2-28f4b69e219c
Henry, Paul F.
6ab0d6ca-bb2c-4286-9fad-1a5894dd8b75
Kohlmann, Holger
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Wilson, Chick C.
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Weller, Mark T.
36a60b56-049f-466c-a1d7-39d6b0d85ff4
Ting, Valeska P.
72559b76-c835-43eb-97e2-28f4b69e219c
Henry, Paul F.
6ab0d6ca-bb2c-4286-9fad-1a5894dd8b75
Kohlmann, Holger
75b7fe90-a0ec-4653-9a82-594f9b86e9b7
Wilson, Chick C.
4b5044d0-fb05-4d70-92b1-d12387c593a1
Weller, Mark T.
36a60b56-049f-466c-a1d7-39d6b0d85ff4

Ting, Valeska P., Henry, Paul F., Kohlmann, Holger, Wilson, Chick C. and Weller, Mark T. (2010) Structural isotope effects in metal hydrides and deuterides. Physical Chemistry Chemical Physics, 12, 2083- 2088. (doi:10.1039/b914135a).

Record type: Article

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

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Published date: 2010

Identifiers

Local EPrints ID: 158735
URI: http://eprints.soton.ac.uk/id/eprint/158735
ISSN: 1463-9076
PURE UUID: 1d9eba1a-ccf7-4486-a963-13510f144f1b

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Date deposited: 23 Jun 2010 10:55
Last modified: 16 Dec 2019 20:51

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