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Article: Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen
Title | Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen |
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Authors | |
Keywords | Decarboxylation DFT calculation Suprofen Time-resolved resonance Raman Time-resolved spectroscopy |
Issue Date | 2015 |
Publisher | John 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? |
Abstract | The 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 Identifier | http://hdl.handle.net/10722/215098 |
ISSN | 2023 Impact Factor: 2.4 2023 SCImago Journal Rankings: 0.532 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Du, L | - |
dc.contributor.author | Zhu, R | - |
dc.contributor.author | Xue, J | - |
dc.contributor.author | Du, Y | - |
dc.contributor.author | Phillips, DL | - |
dc.date.accessioned | 2015-08-21T12:27:16Z | - |
dc.date.available | 2015-08-21T12:27:16Z | - |
dc.date.issued | 2015 | - |
dc.identifier.citation | Journal of Raman Spectroscopy, 2015, v. 46 n. 1, p. 117-125 | - |
dc.identifier.issn | 0377-0486 | - |
dc.identifier.uri | http://hdl.handle.net/10722/215098 | - |
dc.description.abstract | The 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.language | eng | - |
dc.publisher | John Wiley & Sons Ltd. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/3420 | - |
dc.relation.ispartof | Journal of Raman Spectroscopy | - |
dc.rights | Journal of Raman Spectroscopy. Copyright © John Wiley & Sons Ltd. | - |
dc.subject | Decarboxylation | - |
dc.subject | DFT calculation | - |
dc.subject | Suprofen | - |
dc.subject | Time-resolved resonance Raman | - |
dc.subject | Time-resolved spectroscopy | - |
dc.title | Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen | - |
dc.type | Article | - |
dc.identifier.email | Phillips, DL: phillips@hku.hk | - |
dc.identifier.authority | Phillips, DL=rp00770 | - |
dc.description.nature | link_to_OA_fulltext | - |
dc.identifier.doi | 10.1002/jrs.4598 | - |
dc.identifier.scopus | eid_2-s2.0-84921688568 | - |
dc.identifier.hkuros | 246411 | - |
dc.identifier.volume | 46 | - |
dc.identifier.issue | 1 | - |
dc.identifier.spage | 117 | - |
dc.identifier.epage | 125 | - |
dc.identifier.isi | WOS:000348501500017 | - |
dc.publisher.place | United Kingdom | - |
dc.identifier.issnl | 0377-0486 | - |