Published November 3, 2008
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Journal Article
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Crystal structure of Li_2B_(12)H_(12): a possible intermediate species in the decomposition of LiBH_4
Abstract
The crystal structure of solvent-free Li_2B_(12)H_(12) has been determined by powder X-ray diffraction and confirmed by a combination of neutron vibrational spectroscopy and first-principles calculations. This compound is a possible intermediate in the dehydrogenation of LiBH_4, and its structural characterization is crucial for understanding the decomposition and regeneration of LiBH_4. Our results reveal that the structure of Li_2B_(12)H_(12) differs from other known alkali-metal (K, Rb, and Cs) derivatives.
Additional Information
© 2008 American Chemical Society. Publication Date (Web): October 4, 2008. Received July 18, 2008. The authors thank Drs. Craig M. Brown and John J. Rush for useful discussions, as well as Joseph W. Reiter and Dr. Chul Kim for their contributions to the experiments. This work was supported by the DOE through Awards DE-AI-01-05EE11104 and DE-AI-01-05EE11105 and was partially performed at the Jet Propulsion Laboratory, which is operated by the California Institute of Technology under a contract with NASA.Attached Files
Supplemental Material - ic801345h_si_001.pdf
Supplemental Material - ic801345h_si_002.cif
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Additional details
- Eprint ID
- 14313
- Resolver ID
- CaltechAUTHORS:20090527-084322159
- DE-AI-01-05EE11104
- Department of Energy (DOE)
- DE-AI-01-05EE11105
- Department of Energy (DOE)
- NASA/JPL/Caltech
- Created
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2009-05-27Created from EPrint's datestamp field
- Updated
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2021-11-08Created from EPrint's last_modified field