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Electronic structure of ReO3Me by variable photon energy photoelectron spectroscopy, absorption spectroscopy and density functional calculations.

Abstract:

Valence photoelectron (PE) spectra have been measured for ReO(3)Me using a synchrotron source for photon energies ranging between 20 and 110 eV. Derived branching ratios (BR) and relative partial photoionization cross sections (RPPICS) are interpreted in the context of a bonding model calculated using density functional theory (DFT). Agreement between calculated and observed ionization energies (IE) is excellent. The 5d character of the orbitals correlates with the 5p --> 5d resonances of ...

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Publication status:
Published

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Publisher copy:
10.1021/ic020547+

Authors


de Simone, M More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Inorganic Chemistry
McGrady, S More by this author
Pritchard, H More by this author
Journal:
Inorganic chemistry
Volume:
42
Issue:
6
Pages:
1908-1918
Publication date:
2003-03-05
DOI:
EISSN:
1520-510X
ISSN:
0020-1669
URN:
uuid:620cdb01-1a72-4b9d-89c2-b4d2ed8249de
Source identifiers:
38559
Local pid:
pubs:38559
Language:
English

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