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- Publisher Website: 10.1016/0009-2614(96)01052-4
- Scopus: eid_2-s2.0-0030575746
- WOS: WOS:A1996VR36800014
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Article: Ab initio study of luminescent chalcogenido silver(I) clusters [Ag4(μ-H2PCH2PH2) 4(μ4-E)]2+
| Title | Ab initio study of luminescent chalcogenido silver(I) clusters [Ag4(μ-H2PCH2PH2) 4(μ4-E)]2+ |
|---|---|
| Authors | |
| Keywords | Chemistry Physical chemistry silver(I) clusters chalcogenido |
| Issue Date | 1996 |
| Publisher | Elsevier 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? |
| Abstract | Ab 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 Identifier | http://hdl.handle.net/10722/69242 |
| ISSN | 2021 Impact Factor: 2.719 2020 SCImago Journal Rankings: 0.509 |
| ISI Accession Number ID |
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Wang, CR | - |
| dc.contributor.author | Lo, KKW | - |
| dc.contributor.author | Yam, VWW | - |
| dc.date.accessioned | 2010-09-06T06:11:52Z | - |
| dc.date.available | 2010-09-06T06:11:52Z | - |
| dc.date.issued | 1996 | - |
| dc.identifier.citation | Chemical Physics Letters, 1996, v. 262 n. 1-2, p. 91-96 | - |
| dc.identifier.issn | 0009-2614 | - |
| dc.identifier.uri | http://hdl.handle.net/10722/69242 | - |
| dc.description.abstract | Ab 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.language | eng | - |
| dc.publisher | Elsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett | - |
| dc.relation.ispartof | Chemical Physics Letters | - |
| dc.subject | Chemistry | - |
| dc.subject | Physical chemistry | - |
| dc.subject | silver(I) clusters | - |
| dc.subject | chalcogenido | - |
| dc.title | Ab initio study of luminescent chalcogenido silver(I) clusters [Ag4(μ-H2PCH2PH2) 4(μ4-E)]2+ | - |
| dc.type | Article | - |
| dc.identifier.openurl | http://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.email | Yam, VWW: wwyam@hku.hk | - |
| dc.identifier.authority | Yam, VWW=rp00822 | - |
| dc.description.nature | link_to_subscribed_fulltext | - |
| dc.identifier.doi | 10.1016/0009-2614(96)01052-4 | - |
| dc.identifier.scopus | eid_2-s2.0-0030575746 | - |
| dc.identifier.hkuros | 21667 | - |
| dc.identifier.volume | 262 | - |
| dc.identifier.issue | 1-2 | - |
| dc.identifier.spage | 91 | - |
| dc.identifier.epage | 96 | - |
| dc.identifier.isi | WOS:A1996VR36800014 | - |
| dc.publisher.place | Netherlands | - |
| dc.identifier.issnl | 0009-2614 | - |