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Article: Time-resolved resonance raman and density functional theory study of hydrogen-bonding effects on the triplet state of p-methoxyacetophenone

TitleTime-resolved resonance raman and density functional theory study of hydrogen-bonding effects on the triplet state of p-methoxyacetophenone
Authors
Chan, WSMa, CKwok, WMPhillips, LD
Issue Date2005
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/jpca
Citation
Journal Of Physical Chemistry A, 2005, v. 109 n. 15, p. 3454-3469 How to Cite?
DOI: http://dx.doi.org/10.1021/jp044546+
AbstractThe structure, dynamics, and hydrogen bonding effects on the triplet state of the phototrigger model compound p-methoxyacetophenone (MAP) were analyzed using piesecond and nanosecond time-resolved resonance Raman spectroscopy combined with density fuctional theory calculations. The ground and triple states of MAP were found to be associated strongly with the water solvent molecules in the 50% H 2O/50% M eCN solvent system. H-bonds at the carbonyl site involving one water molecule was found to be the most stable for both the ground and the triplet state. It was also found out that the triplet of both the free MAP and the carbonyl H-bond complex was generated rapidly after photoexcitation.
Persistent Identifierhttp://hdl.handle.net/10722/70203
ISSN
1089-5639
2021 Impact Factor: 2.944
2020 SCImago Journal Rankings: 0.756
ISI Accession Number ID
WOS:000228407700025
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorChan, WSen_HK
dc.contributor.authorMa, Cen_HK
dc.contributor.authorKwok, WMen_HK
dc.contributor.authorPhillips, LDen_HK
dc.date.accessioned2010-09-06T06:20:41Z-
dc.date.available2010-09-06T06:20:41Z-
dc.date.issued2005en_HK
dc.identifier.citationJournal Of Physical Chemistry A, 2005, v. 109 n. 15, p. 3454-3469en_HK
dc.identifier.issn1089-5639en_HK
dc.identifier.urihttp://hdl.handle.net/10722/70203-
dc.description.abstractThe structure, dynamics, and hydrogen bonding effects on the triplet state of the phototrigger model compound p-methoxyacetophenone (MAP) were analyzed using piesecond and nanosecond time-resolved resonance Raman spectroscopy combined with density fuctional theory calculations. The ground and triple states of MAP were found to be associated strongly with the water solvent molecules in the 50% H 2O/50% M eCN solvent system. H-bonds at the carbonyl site involving one water molecule was found to be the most stable for both the ground and the triplet state. It was also found out that the triplet of both the free MAP and the carbonyl H-bond complex was generated rapidly after photoexcitation.en_HK
dc.languageengen_HK
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/jpcaen_HK
dc.relation.ispartofJournal of Physical Chemistry Aen_HK
dc.titleTime-resolved resonance raman and density functional theory study of hydrogen-bonding effects on the triplet state of p-methoxyacetophenoneen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1089-5639&volume=109&issue=15&spage=3454&epage=3469&date=2005&atitle=Time-resolved+resonance+Raman+and+density+functional+theory+study+of+hydrogen-bonding+effects+on+the+triplet+state+of+p-methoxyacetophenoneen_HK
dc.identifier.emailMa, C:macs@hkucc.hku.hken_HK
dc.identifier.emailPhillips, LD:phillips@hku.hken_HK
dc.identifier.authorityMa, C=rp00758en_HK
dc.identifier.authorityPhillips, LD=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/jp044546+en_HK
dc.identifier.pmid16833683-
dc.identifier.scopuseid_2-s2.0-18144363250en_HK
dc.identifier.hkuros99143en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-18144363250&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume109en_HK
dc.identifier.issue15en_HK
dc.identifier.spage3454en_HK
dc.identifier.epage3469en_HK
dc.identifier.isiWOS:000228407700025-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridChan, WS=35067933100en_HK
dc.identifier.scopusauthoridMa, C=7402924979en_HK
dc.identifier.scopusauthoridKwok, WM=7103129332en_HK
dc.identifier.scopusauthoridPhillips, LD=7404519365en_HK
dc.identifier.issnl1089-5639-

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