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Article: Femtosecond transient absorption, nanosecond time-resolved resonance Raman, and density functional theory study of fenofibric acid in acetonitrile and isopropyl alcohol solvents

TitleFemtosecond transient absorption, nanosecond time-resolved resonance Raman, and density functional theory study of fenofibric acid in acetonitrile and isopropyl alcohol solvents
Authors
Issue Date2011
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/jpca
Citation
Journal Of Physical Chemistry A, 2011, v. 115 n. 49, p. 14168-14174 How to Cite?
AbstractHydrogen abstraction reaction of fenofibric acid (FA) in acetonitrile and isopropyl alcohol solvents was studied by femtosecond transient absorption (fs-TA) and nanosecond time-resolved resonance Raman (ns-TR 3) spectroscopy experiments. The singlet excite state ( 1FA) (nπ*) with a maximum transient absorption at 352 nm observed in the fs-TA experiments undergoes efficient intersystem crossing (ISC) to convert into a nπ* triplet state FA ( 3FA) that exhibits two transient absorption bands at 345 and 542 nm. The nπ* 3FA species does not decay obviously within 3000 ps. In the ns-TR 3 experiments, the nπ* 3FA is also observed and completely decays by 120 ns. Compared with the triplet states of benzophenone (BP) and ketoprofen (KP), the nπ* 3FA species seems to have a much higher hydrogen abstraction reactivity so that 3FA decays fast and generates a FA ketyl radical like species. In isopropyl alcohol solvent, the nπ* 3FA exhibits similar reactivity and promptly abstracts a hydrogen from the strong hydrogen donor isopropyl alcohol solvent to generate a ketyl radical intermediate. With the decay of the FA ketyl radical, no light absorption transient (LAT) intermediate is observed in isopropyl alcohol solvent although such a LAT species was observed after similar experiments for BP and KP. Comparison of the ns-TR 3 spectra for the species of interest with results from density functional theory calculations were used to elucidate the identity, structure, properties, and major spectral features of the intermediates observed in the ns-TR 3 spectra. This comparison provides insight into the structure and hydrogen abstraction reactivity of the triplet states of BP derivatives. © 2011 American Chemical Society.
Persistent Identifierhttp://hdl.handle.net/10722/159294
ISSN
2014 Impact Factor: 2.693
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorLi, MDen_HK
dc.contributor.authorLi, Wen_HK
dc.contributor.authorMa, Jen_HK
dc.contributor.authorSu, Ten_HK
dc.contributor.authorLiu, Men_HK
dc.contributor.authorDu, Yen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2012-08-16T05:48:27Z-
dc.date.available2012-08-16T05:48:27Z-
dc.date.issued2011en_HK
dc.identifier.citationJournal Of Physical Chemistry A, 2011, v. 115 n. 49, p. 14168-14174en_HK
dc.identifier.issn1089-5639en_HK
dc.identifier.urihttp://hdl.handle.net/10722/159294-
dc.description.abstractHydrogen abstraction reaction of fenofibric acid (FA) in acetonitrile and isopropyl alcohol solvents was studied by femtosecond transient absorption (fs-TA) and nanosecond time-resolved resonance Raman (ns-TR 3) spectroscopy experiments. The singlet excite state ( 1FA) (nπ*) with a maximum transient absorption at 352 nm observed in the fs-TA experiments undergoes efficient intersystem crossing (ISC) to convert into a nπ* triplet state FA ( 3FA) that exhibits two transient absorption bands at 345 and 542 nm. The nπ* 3FA species does not decay obviously within 3000 ps. In the ns-TR 3 experiments, the nπ* 3FA is also observed and completely decays by 120 ns. Compared with the triplet states of benzophenone (BP) and ketoprofen (KP), the nπ* 3FA species seems to have a much higher hydrogen abstraction reactivity so that 3FA decays fast and generates a FA ketyl radical like species. In isopropyl alcohol solvent, the nπ* 3FA exhibits similar reactivity and promptly abstracts a hydrogen from the strong hydrogen donor isopropyl alcohol solvent to generate a ketyl radical intermediate. With the decay of the FA ketyl radical, no light absorption transient (LAT) intermediate is observed in isopropyl alcohol solvent although such a LAT species was observed after similar experiments for BP and KP. Comparison of the ns-TR 3 spectra for the species of interest with results from density functional theory calculations were used to elucidate the identity, structure, properties, and major spectral features of the intermediates observed in the ns-TR 3 spectra. This comparison provides insight into the structure and hydrogen abstraction reactivity of the triplet states of BP derivatives. © 2011 American Chemical Society.en_HK
dc.languageengen_US
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.titleFemtosecond transient absorption, nanosecond time-resolved resonance Raman, and density functional theory study of fenofibric acid in acetonitrile and isopropyl alcohol solventsen_HK
dc.typeArticleen_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/jp207582wen_HK
dc.identifier.pmid22044318-
dc.identifier.scopuseid_2-s2.0-83455195653en_HK
dc.identifier.hkuros203387en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-83455195653&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume115en_HK
dc.identifier.issue49en_HK
dc.identifier.spage14168en_HK
dc.identifier.epage14174en_HK
dc.identifier.isiWOS:000297608900006-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridLi, MD=35173063700en_HK
dc.identifier.scopusauthoridLi, W=36068145000en_HK
dc.identifier.scopusauthoridMa, J=39161647600en_HK
dc.identifier.scopusauthoridSu, T=54685079100en_HK
dc.identifier.scopusauthoridLiu, M=54684394100en_HK
dc.identifier.scopusauthoridDu, Y=35310175500en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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