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A combined experimental and theoretical study of uranium polyhydrides with new evidence for the large complex UH4(H-2)(6)
Department of Theoretical Chemistry, Lund University.ORCID iD: 0000-0001-7567-8295
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2007 (English)In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 111, no 28, 6383-6387 p.Article in journal (Refereed) Published
Abstract [en]

Several monouranium and diuranium polyhydride molecules were investigated using quantum chemical methods. The infrared spectra of uranium and hydrogen reaction products in condensed neon and pure hydrogen were measured and compared with previous argon matrix frequencies. The calculated molecular structures and vibrational frequencies were used to identify the species present in the matrix. Major new absorptions were observed and compared with the previous argon matrix study. Spectroscopic evidence was obtained for the novel complex, UH4(H-2)(6), which has potential interest as a metal hydride with a large number of hydrogen atoms bound to uranium. Our calculations show that the series of complexes UH4(H-2)(1,2,4,6) are stable.

Place, publisher, year, edition, pages
2007. Vol. 111, no 28, 6383-6387 p.
National Category
Chemical Sciences
URN: urn:nbn:se:uu:diva-143886DOI: 10.1021/jp0713007OAI: oai:DiVA.org:uu-143886DiVA: diva2:394356
Available from: 2011-02-02 Created: 2011-01-25 Last updated: 2015-01-08Bibliographically approved

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Lindh, Roland
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