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Crystal structure of Li_2B_(12)H_(12): a possible intermediate species in the decomposition of LiBH_4

Her, Jae-Hyuk and Yousufuddin, Muhammed and Zhou, Wei and Jalisatgi, Satish S. and Kulleck, James G. and Zan, Jason A. and Hwang, Son-Jong and Bowman, Robert C., Jr. and Udovic, Terrence J. (2008) Crystal structure of Li_2B_(12)H_(12): a possible intermediate species in the decomposition of LiBH_4. Inorganic Chemistry, 47 (21). pp. 9757-9759. ISSN 0020-1669. doi:10.1021/ic801345h.

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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.

Item Type:Article
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URLURL TypeDescription
Hwang, Son-Jong0000-0002-3210-466X
Bowman, Robert C., Jr.0000-0002-2114-1713
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.
Funding AgencyGrant Number
Department of Energy (DOE)DE-AI-01-05EE11104
Department of Energy (DOE)DE-AI-01-05EE11105
Issue or Number:21
Record Number:CaltechAUTHORS:20090527-084322159
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:14313
Deposited By: Ruth Sustaita
Deposited On:27 May 2009 22:55
Last Modified:08 Nov 2021 23:10

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