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Article: Molecular orbital studies of luminescent tetranuclear copper(I) complexes

TitleMolecular orbital studies of luminescent tetranuclear copper(I) complexes
Authors
Issue Date1998
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett
Citation
Chemical Physics Letters, 1998, v. 296 n. 5-6, p. 505-514 How to Cite?
AbstractThe electronic structures of the tetranuclear copper(I)complexes [Cu 4(μ-H 2PCH 2PH 2) 4(μ 4-E)] 2+ [E = S(1c), Se(2c)] and [Cu 4(μ-H 2PCH 2PH 2) 4(μ 4-η 1,η 2-C≡C)] 2+ (3c) have been studied using ab initio molecular orbital calculations. It has been found that the high-lying occupied molecular orbitals contain substantial character from the anti-bonding between the Cu(d) orbitals and the ligand orbitals. These molecular orbitals are also mixed with significant Cu(s,p) character. © 1998 Elsevier Science B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/69271
ISSN
2015 Impact Factor: 1.86
2015 SCImago Journal Rankings: 0.757
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorWang, CRen_HK
dc.contributor.authorLo, KKWen_HK
dc.contributor.authorFung, WKMen_HK
dc.contributor.authorYam, VWWen_HK
dc.date.accessioned2010-09-06T06:12:07Z-
dc.date.available2010-09-06T06:12:07Z-
dc.date.issued1998en_HK
dc.identifier.citationChemical Physics Letters, 1998, v. 296 n. 5-6, p. 505-514en_HK
dc.identifier.issn0009-2614en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69271-
dc.description.abstractThe electronic structures of the tetranuclear copper(I)complexes [Cu 4(μ-H 2PCH 2PH 2) 4(μ 4-E)] 2+ [E = S(1c), Se(2c)] and [Cu 4(μ-H 2PCH 2PH 2) 4(μ 4-η 1,η 2-C≡C)] 2+ (3c) have been studied using ab initio molecular orbital calculations. It has been found that the high-lying occupied molecular orbitals contain substantial character from the anti-bonding between the Cu(d) orbitals and the ligand orbitals. These molecular orbitals are also mixed with significant Cu(s,p) character. © 1998 Elsevier Science B.V. All rights reserved.en_HK
dc.languageengen_HK
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cpletten_HK
dc.relation.ispartofChemical Physics Lettersen_HK
dc.rightsChemical Physics Letters. Copyright © Elsevier BV.en_HK
dc.titleMolecular orbital studies of luminescent tetranuclear copper(I) complexesen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0009-2614&volume=296&spage=505&epage=514&date=1998&atitle=Molecular+orbital+studies+of+luminescent+tetranuclear+copper(I)+complexesen_HK
dc.identifier.emailYam, VWW:wwyam@hku.hken_HK
dc.identifier.authorityYam, VWW=rp00822en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S0009-2614(98)01064-1-
dc.identifier.scopuseid_2-s2.0-0000667210en_HK
dc.identifier.hkuros39869en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0000667210&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume296en_HK
dc.identifier.issue5-6en_HK
dc.identifier.spage505en_HK
dc.identifier.epage514en_HK
dc.identifier.isiWOS:000076982300012-
dc.publisher.placeNetherlandsen_HK
dc.identifier.scopusauthoridWang, CR=9242250400en_HK
dc.identifier.scopusauthoridLo, KKW=26032181200en_HK
dc.identifier.scopusauthoridFung, WKM=37062711800en_HK
dc.identifier.scopusauthoridYam, VWW=18539304700en_HK

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