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

TitleMolecular orbital studies of luminescent tetranuclear copper(I) complexes
Authors
Wang, CRLo, KKWFung, WKMYam, VWW
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?
DOI: http://dx.doi.org/10.1016/S0009-2614(98)01064-1
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
0009-2614
2021 Impact Factor: 2.719
2020 SCImago Journal Rankings: 0.509
ISI Accession Number ID
WOS:000076982300012
References
References in Scopus

 

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
dc.identifier.issnl0009-2614-

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