Neutron powder diffraction, and solid-state deuterium NMR analyses of Yb{sub 2}RuD{sub 6} and spectroscopic vibrational analysis of Yb{sub 2}RuD{sub 6} and Yb{sub 2}RuH{sub 6}
- Department of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal, Quebec, Canada H3A2K6 (Canada)
- Advanced Photon Source, Argonne National Laboratory, Argonne, IL 06439-4856 (United States)
The crystal structure of Yb{sub 2}RuD{sub 6} has been determined by neutron powder diffraction and the results were consistent with the Fm3m (no. 225) space group, a=7.2352(18) A, with the atoms arranged according to the well-known K{sub 2}PtCl{sub 6} structure. No structural phase transition was observed in going from room temperature to 4 K. Raman spectra were not available due to fluorescence, but all fundamental bands and combination bands were assigned from FTIR and PAIR spectra only following previous studies for other alkaline earth and europium ruthenium ternary metal hydrides and deuterides. The deuterium nuclear quadrupole coupling constant, 40.9 kHz, leads to an ionic character of the Ru-D bond of 82%. - Graphical Abstract: Using PAIR (see figure above) and FTIR data spectroscopic vibrational assignments are reported for (a) Yb{sub 2}RuH{sub 6} and (b) Yb{sub 2}RuD{sub 6}. In addition, neutron powder diffraction structural elucidation data and deuterium NMR data are reported for Yb{sub 2}RuD{sub 6}. Highlights: > Yb{sub 2}RuD{sub 6} was prepared by a high temperature gas/solid phase reaction among YbD{sub 2}, Ru and D{sub 2}. > The crystal structure of Yb{sub 2}RuD{sub 6} was elucidated by powder neutron diffraction. > Yb{sub 2}RuD{sub 6} and Yb{sub 2}RuH{sub 6} were analyzed by infrared spectroscopy. > In addition, Yb{sub 2}RuD{sub 6} was analyzed with D NMR spectroscopy.
- OSTI ID:
- 21580159
- Journal Information:
- Journal of Solid State Chemistry, Vol. 184, Issue 7; Other Information: DOI: 10.1016/j.jssc.2011.04.012; PII: S0022-4596(11)00180-0; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ABSORPTION SPECTROSCOPY
DEUTERIDES
DEUTERIUM
EUROPIUM
FCC LATTICES
FLUORESCENCE
FOURIER TRANSFORMATION
HYDRIDES
INFRARED SPECTRA
LEAD
NEUTRON DIFFRACTION
NUCLEAR MAGNETIC RESONANCE
PHASE TRANSFORMATIONS
POWDERS
RAMAN SPECTRA
RUTHENIUM
SOLIDS
SPACE GROUPS
TEMPERATURE RANGE 0400-1000 K
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
DEUTERIUM COMPOUNDS
DIFFRACTION
ELEMENTS
EMISSION
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
INTEGRAL TRANSFORMATIONS
ISOTOPES
LIGHT NUCLEI
LUMINESCENCE
MAGNETIC RESONANCE
METALS
NUCLEI
ODD-ODD NUCLEI
PHOTON EMISSION
PLATINUM METALS
RARE EARTHS
REFRACTORY METALS
RESONANCE
SCATTERING
SPECTRA
SPECTROSCOPY
STABLE ISOTOPES
SYMMETRY GROUPS
TEMPERATURE RANGE
TRANSFORMATIONS
TRANSITION ELEMENTS