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Article: Ab initio study of luminescent chalcogenido silver(I) clusters [Ag4(μ-H2PCH2PH2) 4(μ4-E)]2+

TitleAb initio study of luminescent chalcogenido silver(I) clusters [Ag4(μ-H2PCH2PH2) 4(μ4-E)]2+
Authors
KeywordsChemistry
Physical chemistry
silver(I) clusters
chalcogenido
Issue Date1996
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett
Citation
Chemical Physics Letters, 1996, v. 262 n. 1-2, p. 91-96 How to Cite?
AbstractAb initio calculations have been performed on the chalcogenido silver(I) model complexes [Ag4(μ-H2PCH2PH2)4(μ4-E)]2+ and their cores [Ag4(μ4-E)]2+ (E = S, Se and Te) at the RHF/3-21G level. The results reveal a chalcogenido-based HOMO and metal-based LUMO. It is envisaged that the excited states of luminescent silver(I) clusters [Ag4-(μ-dppm)4-(μ4-E)]2+ bear a high parentage of ligand-to-metal charge-transfer LMCT (E2− → Ag4) character, mixed with a metal-centred MC (ds/dp) state.
Persistent Identifierhttp://hdl.handle.net/10722/69242
ISSN
2023 Impact Factor: 2.8
2023 SCImago Journal Rankings: 0.502
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorWang, CR-
dc.contributor.authorLo, KKW-
dc.contributor.authorYam, VWW-
dc.date.accessioned2010-09-06T06:11:52Z-
dc.date.available2010-09-06T06:11:52Z-
dc.date.issued1996-
dc.identifier.citationChemical Physics Letters, 1996, v. 262 n. 1-2, p. 91-96-
dc.identifier.issn0009-2614-
dc.identifier.urihttp://hdl.handle.net/10722/69242-
dc.description.abstractAb initio calculations have been performed on the chalcogenido silver(I) model complexes [Ag4(μ-H2PCH2PH2)4(μ4-E)]2+ and their cores [Ag4(μ4-E)]2+ (E = S, Se and Te) at the RHF/3-21G level. The results reveal a chalcogenido-based HOMO and metal-based LUMO. It is envisaged that the excited states of luminescent silver(I) clusters [Ag4-(μ-dppm)4-(μ4-E)]2+ bear a high parentage of ligand-to-metal charge-transfer LMCT (E2− → Ag4) character, mixed with a metal-centred MC (ds/dp) state.-
dc.languageeng-
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett-
dc.relation.ispartofChemical Physics Letters-
dc.subjectChemistry-
dc.subjectPhysical chemistry-
dc.subjectsilver(I) clusters-
dc.subjectchalcogenido-
dc.titleAb initio study of luminescent chalcogenido silver(I) clusters [Ag4(μ-H2PCH2PH2) 4(μ4-E)]2+-
dc.typeArticle-
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0009-2614&volume=262&spage=91&epage=96&date=1996&atitle=Ab+initio+study+of+luminescent+chalcogenido+silver(I)+clusters+[Ag4(m-H2PCH2PH2)4(m4-E)]2+en_HK
dc.identifier.emailYam, VWW: wwyam@hku.hk-
dc.identifier.authorityYam, VWW=rp00822-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/0009-2614(96)01052-4-
dc.identifier.scopuseid_2-s2.0-0030575746-
dc.identifier.hkuros21667-
dc.identifier.volume262-
dc.identifier.issue1-2-
dc.identifier.spage91-
dc.identifier.epage96-
dc.identifier.isiWOS:A1996VR36800014-
dc.publisher.placeNetherlands-
dc.identifier.issnl0009-2614-

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