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Article: Nature of the cycloheptatrienyl-transition metal bond.

TitleNature of the cycloheptatrienyl-transition metal bond.
Authors
Issue Date1994
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.html
Citation
Journal Of The American Chemical Society, 1994, v. 116 n. 5, p. 1994-2004 How to Cite?
AbstractThe photoelectron spectra of [Ti(η-C7H7)(η-C5H5)], [Nb(η-C7H7)(η-C5H5)], [Nb(η-C7H7)(η-C5H5)], [Ta(η-C7H7) (η-C5H4Me)], and [Mo(η-C7H7)(η-C5H5)] have been acquired with synchrotron radiation in the incident photon energy range 20-95 eV. Relative partial photoionization cross sections have been derived for the valence bands. The la1 highest occupied molecular orbital (in [Nb(η-C7H7)(η-C5H5)], [Ta(η-C7H7)(η-C5H4Me)], and [Mo(η-C7H7)(η-C5H5)]) is confirmed as almost wholly metal-localized. The principal source of metal-cycloheptatrienyl ring covalent bonding is found to be the 1e2 molecular orbitals. The mixed metal/ligand character of the le2 orbitals, estimated as around 60-80% metal character, indicates that neither the +1 nor the -3 formalism for the charge on the cycloheptatrienyl ring is an accurate description of the metal-ring bonding in these complexes. It is considered that three metal valence electrons are required to form the metal-cycloheptatrienyl bond.
Persistent Identifierhttp://hdl.handle.net/10722/157229
ISSN
2015 Impact Factor: 13.038
2015 SCImago Journal Rankings: 7.123

 

DC FieldValueLanguage
dc.contributor.authorGreen, JCen_US
dc.contributor.authorKaltsoyannis, Nen_US
dc.contributor.authorSze, KHen_US
dc.contributor.authorMacdonald, Men_US
dc.date.accessioned2012-08-08T08:48:15Z-
dc.date.available2012-08-08T08:48:15Z-
dc.date.issued1994en_US
dc.identifier.citationJournal Of The American Chemical Society, 1994, v. 116 n. 5, p. 1994-2004en_US
dc.identifier.issn0002-7863en_US
dc.identifier.urihttp://hdl.handle.net/10722/157229-
dc.description.abstractThe photoelectron spectra of [Ti(η-C7H7)(η-C5H5)], [Nb(η-C7H7)(η-C5H5)], [Nb(η-C7H7)(η-C5H5)], [Ta(η-C7H7) (η-C5H4Me)], and [Mo(η-C7H7)(η-C5H5)] have been acquired with synchrotron radiation in the incident photon energy range 20-95 eV. Relative partial photoionization cross sections have been derived for the valence bands. The la1 highest occupied molecular orbital (in [Nb(η-C7H7)(η-C5H5)], [Ta(η-C7H7)(η-C5H4Me)], and [Mo(η-C7H7)(η-C5H5)]) is confirmed as almost wholly metal-localized. The principal source of metal-cycloheptatrienyl ring covalent bonding is found to be the 1e2 molecular orbitals. The mixed metal/ligand character of the le2 orbitals, estimated as around 60-80% metal character, indicates that neither the +1 nor the -3 formalism for the charge on the cycloheptatrienyl ring is an accurate description of the metal-ring bonding in these complexes. It is considered that three metal valence electrons are required to form the metal-cycloheptatrienyl bond.en_US
dc.languageengen_US
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.htmlen_US
dc.relation.ispartofJournal of the American Chemical Societyen_US
dc.titleNature of the cycloheptatrienyl-transition metal bond.en_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-s2.0-0001550104en_US
dc.identifier.volume116en_US
dc.identifier.issue5en_US
dc.identifier.spage1994en_US
dc.identifier.epage2004en_US
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridGreen, JC=7404572278en_US
dc.identifier.scopusauthoridKaltsoyannis, N=7004509648en_US
dc.identifier.scopusauthoridSze, KH=7006735061en_US
dc.identifier.scopusauthoridMacDonald, M=7401502193en_US

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