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Electronic structure of M(BH4)4, M = Zr, Hf, and U, by variable photon-energy photoelectron spectroscopy and density functional calculations.

Abstract:

Photoelectron (PE) spectra have been obtained for the M(BH(4))(4) (M = Zr, Hf and U) molecules in the 20-60 eV photon-energy range, and for M = U, also in the 90-120 eV region. Derived branching ratios (BR) and relative partial-photoionization cross sections (RPPICS) of the valence bands are used to confirm band assignment and demonstrate d-orbital covalency for all three compounds and f-orbital covalency for U(BH(4))(4). Core ionizations are identified and used to confirm resonance features ...

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Publication status:
Published

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Publisher copy:
10.1021/ic050370u

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Inorganic Chemistry
de Simone, M More by this author
Pritchard, HM More by this author
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Journal:
Inorganic chemistry
Volume:
44
Issue:
22
Pages:
7781-7793
Publication date:
2005-10-05
DOI:
EISSN:
1520-510X
ISSN:
0020-1669
URN:
uuid:a3b3c413-5aad-4d14-a8ab-465060cec81a
Source identifiers:
33276
Local pid:
pubs:33276
Language:
English

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