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Article: Time-resolved resonance Raman spectroscopy and density functional theory investigation of the photochemistry of 4-chloroaniline in the solution phase

TitleTime-resolved resonance Raman spectroscopy and density functional theory investigation of the photochemistry of 4-chloroaniline in the solution phase
Authors
Keywords4-chloroaniline
Density functional theory
Time-resolved resonance Raman spectroscopy
Issue Date2006
PublisherSpectral-Force Publications.
Citation
Asian Journal Of Spectroscopy, 2006, v. 10 n. 3-4, p. 71-81 How to Cite?
AbstractTime-resolved resonance Raman spectra and density functional theory computations for the intermediates formed following the photolysis of 4-chloroaniline in both acetonitrile and methanol solvents are reported. Laser excitation of 4-chloroaniline in methanol produced two transient species with different lifetimes. The end-of-pulse transient species was identified as the triplet aminophenyl cation with a lifetime of 800 ns. The other species was assigned to the aniline radical cation with a lifetime of 28 μs. In oxygen quenching experiments, the lifetime of the aniline radical cation was reduced to 1.7 μs. Only one transient species (which had a concentration-dependence) was observed in acetonitrile. The lifetime of this species varied from 30 μs at a relatively high concentration to 100 μs at a lower concentration. The resonance Raman frequencies and the lifetime of this species matches very well with the longer lifetime species observed in methanol. The transient intermediate that was observed in both acetonitrile and methanol solvents was assigned to the same species, the aniline radical cation. The Raman shifts of our experimental results match reasonably well with the theoretical calculated frequencies. All of these assignments for the transient species are in good agreement with the results previously reported from transient absorption spectroscopy experiments. We briefly discuss the structures, properties and reactivity of the aniline radical cation and the triplet aminophenyl cation observed in the time-resolved resonance Raman experiments.
Persistent Identifierhttp://hdl.handle.net/10722/69977
ISSN
2005 Impact Factor: 0.083
2015 SCImago Journal Rankings: 0.104
References

 

DC FieldValueLanguage
dc.contributor.authorChu, LMen_HK
dc.contributor.authorGuan, Xen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2010-09-06T06:18:34Z-
dc.date.available2010-09-06T06:18:34Z-
dc.date.issued2006en_HK
dc.identifier.citationAsian Journal Of Spectroscopy, 2006, v. 10 n. 3-4, p. 71-81en_HK
dc.identifier.issn0971-9237en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69977-
dc.description.abstractTime-resolved resonance Raman spectra and density functional theory computations for the intermediates formed following the photolysis of 4-chloroaniline in both acetonitrile and methanol solvents are reported. Laser excitation of 4-chloroaniline in methanol produced two transient species with different lifetimes. The end-of-pulse transient species was identified as the triplet aminophenyl cation with a lifetime of 800 ns. The other species was assigned to the aniline radical cation with a lifetime of 28 μs. In oxygen quenching experiments, the lifetime of the aniline radical cation was reduced to 1.7 μs. Only one transient species (which had a concentration-dependence) was observed in acetonitrile. The lifetime of this species varied from 30 μs at a relatively high concentration to 100 μs at a lower concentration. The resonance Raman frequencies and the lifetime of this species matches very well with the longer lifetime species observed in methanol. The transient intermediate that was observed in both acetonitrile and methanol solvents was assigned to the same species, the aniline radical cation. The Raman shifts of our experimental results match reasonably well with the theoretical calculated frequencies. All of these assignments for the transient species are in good agreement with the results previously reported from transient absorption spectroscopy experiments. We briefly discuss the structures, properties and reactivity of the aniline radical cation and the triplet aminophenyl cation observed in the time-resolved resonance Raman experiments.en_HK
dc.languageengen_HK
dc.publisherSpectral-Force Publications.en_HK
dc.relation.ispartofAsian Journal of Spectroscopyen_HK
dc.subject4-chloroanilineen_HK
dc.subjectDensity functional theoryen_HK
dc.subjectTime-resolved resonance Raman spectroscopyen_HK
dc.titleTime-resolved resonance Raman spectroscopy and density functional theory investigation of the photochemistry of 4-chloroaniline in the solution phaseen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0971-9237&volume=10&spage=71&epage=81&date=2006&atitle=Time-resolved+Resonance+Raman+Spectroscopy+And+Density+Functional+Theory+Investigation+Of+The+Photochemistry+Of+4-chloroaniline+In+The+Solution+Phase+en_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.scopuseid_2-s2.0-33845594546en_HK
dc.identifier.hkuros134042en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-33845594546&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume10en_HK
dc.identifier.issue3-4en_HK
dc.identifier.spage71en_HK
dc.identifier.epage81en_HK
dc.publisher.placeIndiaen_HK
dc.identifier.scopusauthoridChu, LM=8595123000en_HK
dc.identifier.scopusauthoridGuan, X=8313149700en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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