Structural isotope effects in metal hydrides and deuterides

Valeska P. Ting, Paul F. Henry, Holger Kohlmann, Chick C. Wilson, Mark T. Weller

Research output: Contribution to journalArticle

31 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)2083-2088
Number of pages6
JournalPhysical Chemistry Chemical Physics
Volume12
Issue number9
Early online date15 Jan 2010
DOIs
Publication statusPublished - 7 Mar 2010

Fingerprint

deuterides
Neutron powder diffraction
metal hydrides
Hydrides
Isotopes
isotope effect
Hydrogen
Metals
Lattice constants
neutrons
Crystal structure
hydrogen
Fluxes
diffraction
Wavelength
hydrides
lattice parameters
analogs
crystal structure
wavelengths

Cite this

Structural isotope effects in metal hydrides and deuterides. / Ting, Valeska P.; Henry, Paul F.; Kohlmann, Holger; Wilson, Chick C.; Weller, Mark T.

In: Physical Chemistry Chemical Physics, Vol. 12, No. 9, 07.03.2010, p. 2083-2088.

Research output: Contribution to journalArticle

Ting, Valeska P. ; Henry, Paul F. ; Kohlmann, Holger ; Wilson, Chick C. ; Weller, Mark T. / Structural isotope effects in metal hydrides and deuterides. In: Physical Chemistry Chemical Physics. 2010 ; Vol. 12, No. 9. pp. 2083-2088.
@article{a351eb4c568044a3bca8d5bcacc170b4,
title = "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.",
author = "Ting, {Valeska P.} and Henry, {Paul F.} and Holger Kohlmann and Wilson, {Chick C.} and Weller, {Mark T.}",
year = "2010",
month = "3",
day = "7",
doi = "10.1039/b914135a",
language = "English",
volume = "12",
pages = "2083--2088",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "9",

}

TY - JOUR

T1 - Structural isotope effects in metal hydrides and deuterides

AU - Ting, Valeska P.

AU - Henry, Paul F.

AU - Kohlmann, Holger

AU - Wilson, Chick C.

AU - Weller, Mark T.

PY - 2010/3/7

Y1 - 2010/3/7

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=77149149047&partnerID=8YFLogxK

UR - http://dx.doi.org/10.1039/b914135a

U2 - 10.1039/b914135a

DO - 10.1039/b914135a

M3 - Article

VL - 12

SP - 2083

EP - 2088

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 9

ER -