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Article: Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen

TitleTime‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen
Authors
Issue Date2015
PublisherJohn Wiley & Sons Ltd. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/3420
Citation
Journal of Raman Spectroscopy, 2015, v. 46 n. 1, p. 117-125 How to Cite?
AbstractThe photochemistry of suprofen (SPF) was investigated by femtosecond transient absorption (fs-TA), resonance Raman (RR) and nanosecond time-resolved resonance Raman (ns-TR3) spectroscopic methods to gain additional information so as to better elucidate the possible photochemical reaction mechanism of suprofen in several different solvents. In neat acetonitrile (MeCN), the fs-TA and ns-TR3 experimental data indicated that the lowest lying excited singlet state S1 (nπ*) underwent an efficient intersystem crossing process (ISC) to the excited triplet state T3 (ππ*), followed by an internal conversion (IC) process to T1 (ππ*). In the aqueous solution, a triplet biradical species (3ETK-1) was obtained as the product of a decarboxylation process from triplet suprofen anion (3SPF−) and the reaction rate of the decarboxylation process was determined by the concentration of H2O. A protonation process for 3ETK-1 leads to formation of a neutral species (3ETK-3) that was directly observed by ns-TR3 spectra, then this 3ETK-3 species decayed via ISC process to generate final product.
Persistent Identifierhttp://hdl.handle.net/10722/215098
ISSN
2015 Impact Factor: 2.395
2015 SCImago Journal Rankings: 1.075

 

DC FieldValueLanguage
dc.contributor.authorDu, L-
dc.contributor.authorZhu, R-
dc.contributor.authorXue, J-
dc.contributor.authorDu, Y-
dc.contributor.authorPhillips, DL-
dc.date.accessioned2015-08-21T12:27:16Z-
dc.date.available2015-08-21T12:27:16Z-
dc.date.issued2015-
dc.identifier.citationJournal of Raman Spectroscopy, 2015, v. 46 n. 1, p. 117-125-
dc.identifier.issn0377-0486-
dc.identifier.urihttp://hdl.handle.net/10722/215098-
dc.description.abstractThe photochemistry of suprofen (SPF) was investigated by femtosecond transient absorption (fs-TA), resonance Raman (RR) and nanosecond time-resolved resonance Raman (ns-TR3) spectroscopic methods to gain additional information so as to better elucidate the possible photochemical reaction mechanism of suprofen in several different solvents. In neat acetonitrile (MeCN), the fs-TA and ns-TR3 experimental data indicated that the lowest lying excited singlet state S1 (nπ*) underwent an efficient intersystem crossing process (ISC) to the excited triplet state T3 (ππ*), followed by an internal conversion (IC) process to T1 (ππ*). In the aqueous solution, a triplet biradical species (3ETK-1) was obtained as the product of a decarboxylation process from triplet suprofen anion (3SPF−) and the reaction rate of the decarboxylation process was determined by the concentration of H2O. A protonation process for 3ETK-1 leads to formation of a neutral species (3ETK-3) that was directly observed by ns-TR3 spectra, then this 3ETK-3 species decayed via ISC process to generate final product.-
dc.languageeng-
dc.publisherJohn Wiley & Sons Ltd. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/3420-
dc.relation.ispartofJournal of Raman Spectroscopy-
dc.rightsJournal of Raman Spectroscopy. Copyright © John Wiley & Sons Ltd.-
dc.titleTime‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen-
dc.typeArticle-
dc.identifier.emailPhillips, DL: phillips@hku.hk-
dc.identifier.authorityPhillips, DL=rp00770-
dc.description.naturelink_to_OA_fulltext-
dc.identifier.doi10.1002/jrs.4598-
dc.identifier.hkuros246411-
dc.identifier.volume46-
dc.identifier.issue1-
dc.identifier.spage117-
dc.identifier.epage125-
dc.publisher.placeUnited Kingdom-

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