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Article: Variable photon energy photoelectron spectroscopy of OsO4 and pseudopotential calculations of the valence ionization energies of OsO4 and RuO4

TitleVariable photon energy photoelectron spectroscopy of OsO4 and pseudopotential calculations of the valence ionization energies of OsO4 and RuO4
Authors
Issue Date1992
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/ic
Citation
Inorganic Chemistry, 1992, v. 31 n. 9, p. 1588-1594 How to Cite?
AbstractRelative partial photoionization cross sections and photoelectron branching ratios have been obtained for the valence bands of osmium tetraoxide in the ionization energy range 12-18 eV. The photon energies used ranged between 24 and 115 eV. The ionization cross sections of the 2t2, 1e, and 2a1 orbitals show evidence of substantial metal character. By use of an ab initio many-body Green's function formalism that takes into account the effect of electron correlation and relaxation, ionization energies of OsO4 and RuO4 have been calculated. Considerations of the spectral features and the predictions of the calculation lead to an assignment of ion state ordering of 2T1 < 2T2 < 2A1 < 2E < 2T2. The presence of a substantial p-d resonance feature in the cross section of the upper 2T2 and 2E ion states shows that the 2t2 and 1e orbitals have significant Os 5d character. The lower 2T2 ion state (arising from ionization from the 3t2 orbital) undergoes a spin-orbit splitting of 0.4 eV resulting from an Os 6p contribution to the 3t2 molecular orbital. © 1992 American Chemical Society.
Persistent Identifierhttp://hdl.handle.net/10722/157226
ISSN
2015 Impact Factor: 4.82
2015 SCImago Journal Rankings: 1.873

 

DC FieldValueLanguage
dc.contributor.authorGreen, JCen_US
dc.contributor.authorGuest, MFen_US
dc.contributor.authorHillier, IHen_US
dc.contributor.authorJarrettSprague, SAen_US
dc.contributor.authorKaltsoyannis, Nen_US
dc.contributor.authorMacdonald, MAen_US
dc.contributor.authorSze, KHen_US
dc.date.accessioned2012-08-08T08:48:14Z-
dc.date.available2012-08-08T08:48:14Z-
dc.date.issued1992en_US
dc.identifier.citationInorganic Chemistry, 1992, v. 31 n. 9, p. 1588-1594en_US
dc.identifier.issn0020-1669en_US
dc.identifier.urihttp://hdl.handle.net/10722/157226-
dc.description.abstractRelative partial photoionization cross sections and photoelectron branching ratios have been obtained for the valence bands of osmium tetraoxide in the ionization energy range 12-18 eV. The photon energies used ranged between 24 and 115 eV. The ionization cross sections of the 2t2, 1e, and 2a1 orbitals show evidence of substantial metal character. By use of an ab initio many-body Green's function formalism that takes into account the effect of electron correlation and relaxation, ionization energies of OsO4 and RuO4 have been calculated. Considerations of the spectral features and the predictions of the calculation lead to an assignment of ion state ordering of 2T1 < 2T2 < 2A1 < 2E < 2T2. The presence of a substantial p-d resonance feature in the cross section of the upper 2T2 and 2E ion states shows that the 2t2 and 1e orbitals have significant Os 5d character. The lower 2T2 ion state (arising from ionization from the 3t2 orbital) undergoes a spin-orbit splitting of 0.4 eV resulting from an Os 6p contribution to the 3t2 molecular orbital. © 1992 American Chemical Society.en_US
dc.languageengen_US
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/icen_US
dc.relation.ispartofInorganic Chemistryen_US
dc.titleVariable photon energy photoelectron spectroscopy of OsO4 and pseudopotential calculations of the valence ionization energies of OsO4 and RuO4en_US
dc.typeArticleen_US
dc.identifier.emailSze, KH:khsze@hku.hken_US
dc.identifier.authoritySze, KH=rp00785en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.scopuseid_2-s2.0-0000897790en_US
dc.identifier.volume31en_US
dc.identifier.issue9en_US
dc.identifier.spage1588en_US
dc.identifier.epage1594en_US
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridGreen, JC=7404572278en_US
dc.identifier.scopusauthoridGuest, MF=7004849230en_US
dc.identifier.scopusauthoridHillier, IH=7004402709en_US
dc.identifier.scopusauthoridJarrettSprague, SA=15075873400en_US
dc.identifier.scopusauthoridKaltsoyannis, N=7004509648en_US
dc.identifier.scopusauthoridMacDonald, MA=7401502193en_US
dc.identifier.scopusauthoridSze, KH=7006735061en_US

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