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Article: Time-Resolved Spectroscopic and Density Functional Theory Study of the Photochemistry of Irgacure-2959 in an Aqueous Solution

TitleTime-Resolved Spectroscopic and Density Functional Theory Study of the Photochemistry of Irgacure-2959 in an Aqueous Solution
Authors
Issue Date2014
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/jpca
Citation
The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 2014, v. 118 n. 38, p. 8701–8707 How to Cite?
AbstractThe photocleavage reaction mechanism of 2-hydroxy-4´-(2-hydroxyethoxy)-2-methylpropiophenone (Irgacure-2959) was investigated using femtosecond (fs) and nanosecond (ns) transient absorption (-TA) spectroscopy and also picosecond (ps) and nanosecond (ns) time-resolved resonance Raman (-TR3) spectroscopy experiments in a water-rich (volume ratio of acetonitrile:water=3:7) solution. TA spectroscopy was used to study the dynamics of the benzoyl radical growth and decay as well as to investigate the radical quenching process by the radical scavenger methyl acrylate. Ps- and ns-TR3 spectroscopies were employed to monitor the formation of the benzoyl radical and also to characterize its electronic and structural properties. The fs-TA experiments results indicate that the Irgacure-2959 lowest lying excited singlet state S1 underwent efficient intersystem crossing (ISC) to convert into its triplet state with a time constant of 4 ps. Subsequently, this triplet species dissociated into the benzoyl and alkyl radicals with a corresponding maximum absorption band at 415 nm. The TR3 results in conjunction with results from DFT calculations confirmed that Irgacure-2959 cleaved into the benzoyl and alkyl radicals at a fast rate on the tens of picosecond timescale. Time-Resolved Spectroscopic and Density Functional Theory Study of the Photochemistry of Irgacure-2959 in an Aqueous Solution (PDF Download Available). Available from: http://www.researchgate.net/publication/264865803_Time-Resolved_Spectroscopic_and_Density_Functional_Theory_Study_of_the_Photochemistry_of_Irgacure-2959_in_an_Aqueous_Solution [accessed Jul 2, 2015].
Persistent Identifierhttp://hdl.handle.net/10722/211708
ISSN
2015 Impact Factor: 2.883
2015 SCImago Journal Rankings: 1.231

 

DC FieldValueLanguage
dc.contributor.authorLiu, M-
dc.contributor.authorLi, MD-
dc.contributor.authorXue, J-
dc.contributor.authorPhillips, DL-
dc.date.accessioned2015-07-21T02:08:34Z-
dc.date.available2015-07-21T02:08:34Z-
dc.date.issued2014-
dc.identifier.citationThe Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 2014, v. 118 n. 38, p. 8701–8707-
dc.identifier.issn1089-5639-
dc.identifier.urihttp://hdl.handle.net/10722/211708-
dc.description.abstractThe photocleavage reaction mechanism of 2-hydroxy-4´-(2-hydroxyethoxy)-2-methylpropiophenone (Irgacure-2959) was investigated using femtosecond (fs) and nanosecond (ns) transient absorption (-TA) spectroscopy and also picosecond (ps) and nanosecond (ns) time-resolved resonance Raman (-TR3) spectroscopy experiments in a water-rich (volume ratio of acetonitrile:water=3:7) solution. TA spectroscopy was used to study the dynamics of the benzoyl radical growth and decay as well as to investigate the radical quenching process by the radical scavenger methyl acrylate. Ps- and ns-TR3 spectroscopies were employed to monitor the formation of the benzoyl radical and also to characterize its electronic and structural properties. The fs-TA experiments results indicate that the Irgacure-2959 lowest lying excited singlet state S1 underwent efficient intersystem crossing (ISC) to convert into its triplet state with a time constant of 4 ps. Subsequently, this triplet species dissociated into the benzoyl and alkyl radicals with a corresponding maximum absorption band at 415 nm. The TR3 results in conjunction with results from DFT calculations confirmed that Irgacure-2959 cleaved into the benzoyl and alkyl radicals at a fast rate on the tens of picosecond timescale. Time-Resolved Spectroscopic and Density Functional Theory Study of the Photochemistry of Irgacure-2959 in an Aqueous Solution (PDF Download Available). Available from: http://www.researchgate.net/publication/264865803_Time-Resolved_Spectroscopic_and_Density_Functional_Theory_Study_of_the_Photochemistry_of_Irgacure-2959_in_an_Aqueous_Solution [accessed Jul 2, 2015].-
dc.languageeng-
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/jpca-
dc.relation.ispartofThe Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory-
dc.titleTime-Resolved Spectroscopic and Density Functional Theory Study of the Photochemistry of Irgacure-2959 in an Aqueous Solution-
dc.typeArticle-
dc.identifier.emailLi, MD: mdli@hku.hk-
dc.identifier.emailPhillips, DL: phillips@hku.hk-
dc.identifier.authorityPhillips, DL=rp00770-
dc.identifier.doi10.1021/jp506099n-
dc.identifier.pmid25134065-
dc.identifier.hkuros244755-
dc.identifier.volume118-
dc.identifier.issue38-
dc.identifier.spage8701-
dc.identifier.epage8707-
dc.publisher.placeUnited States-

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