skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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}

Abstract

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 analyzedmore » by infrared spectroscopy. > In addition, Yb{sub 2}RuD{sub 6} was analyzed with D NMR spectroscopy.« less

Authors:
 [1];  [2];  [3]
  1. Department of Chemistry, Trinity College, 300 Summit Street, Hartford, CT 06106-3100 (United States)
  2. Department of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal, Quebec, Canada H3A2K6 (Canada)
  3. Advanced Photon Source, Argonne National Laboratory, Argonne, IL 06439-4856 (United States)
Publication Date:
OSTI Identifier:
21580159
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 184; Journal 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.; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, 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

Citation Formats

Moyer, Ralph O., E-mail: ralph.moyer@trincoll.edu, Gilson, Denis F.R., and Toby, Brian H.. 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}. United States: N. p., 2011. Web. doi:10.1016/j.jssc.2011.04.012.
Moyer, Ralph O., E-mail: ralph.moyer@trincoll.edu, Gilson, Denis F.R., & Toby, Brian H.. 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}. United States. doi:10.1016/j.jssc.2011.04.012.
Moyer, Ralph O., E-mail: ralph.moyer@trincoll.edu, Gilson, Denis F.R., and Toby, Brian H.. Fri . "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}". United States. doi:10.1016/j.jssc.2011.04.012.
@article{osti_21580159,
title = {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}},
author = {Moyer, Ralph O., E-mail: ralph.moyer@trincoll.edu and Gilson, Denis F.R. and Toby, Brian H.},
abstractNote = {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.},
doi = {10.1016/j.jssc.2011.04.012},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 7,
volume = 184,
place = {United States},
year = {2011},
month = {7}
}