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Article: Femtosecond photodissociation dynamics of nitroethane and 1-nitropropane in the gas and solution phases from resonance Raman intensity analysis

TitleFemtosecond photodissociation dynamics of nitroethane and 1-nitropropane in the gas and solution phases from resonance Raman intensity analysis
Authors
Issue Date1996
PublisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/00268976.asp
Citation
Molecular Physics, 1996, v. 88 n. 2, p. 517-531 How to Cite?
AbstractWe have obtained resonance Raman spectra of nitroethane and 1-nitropropane in the gas phase and in cyclohexane solution with excitation within the broad B-band absorption around 200 nm. The resonance Raman spectra are dominated by a long overtone progression in the nominal NO 2 symmetric stretch vibrational mode. The initial short-time (femtosecond) photodissociation dynamics of the excited electronic state associated with the B-band absorption changes mainly in the two N-O bond lengths in the Franck-Condon region. Time-dependent wavepacket calculations have been carried out to simulate both the absorption spectra and the resonance Raman intensities. These calculations show that very fast predissociation competes with wavepacket motion out of the Franck-Condon region, and/or there is a significant change in the transition dipole moment along the nominal NO 2 symmetric stretch coordinate, that must be taken into account to correctly model the higher overtone resonance Raman intensities. Since the resonance Raman intensity patterns and calculation parameters are very similar for both gas and solution phase nitroethane and 1-nitropropane, electronic dephasing due to solvent collisions does not appear to be a significant factor in determining the resonance Raman overtone intensities up to v = 9.
Persistent Identifierhttp://hdl.handle.net/10722/69842
ISSN
2015 Impact Factor: 1.837
2015 SCImago Journal Rankings: 0.781
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorKwok, WMen_HK
dc.contributor.authorHung, MSen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2010-09-06T06:17:20Z-
dc.date.available2010-09-06T06:17:20Z-
dc.date.issued1996en_HK
dc.identifier.citationMolecular Physics, 1996, v. 88 n. 2, p. 517-531en_HK
dc.identifier.issn0026-8976en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69842-
dc.description.abstractWe have obtained resonance Raman spectra of nitroethane and 1-nitropropane in the gas phase and in cyclohexane solution with excitation within the broad B-band absorption around 200 nm. The resonance Raman spectra are dominated by a long overtone progression in the nominal NO 2 symmetric stretch vibrational mode. The initial short-time (femtosecond) photodissociation dynamics of the excited electronic state associated with the B-band absorption changes mainly in the two N-O bond lengths in the Franck-Condon region. Time-dependent wavepacket calculations have been carried out to simulate both the absorption spectra and the resonance Raman intensities. These calculations show that very fast predissociation competes with wavepacket motion out of the Franck-Condon region, and/or there is a significant change in the transition dipole moment along the nominal NO 2 symmetric stretch coordinate, that must be taken into account to correctly model the higher overtone resonance Raman intensities. Since the resonance Raman intensity patterns and calculation parameters are very similar for both gas and solution phase nitroethane and 1-nitropropane, electronic dephasing due to solvent collisions does not appear to be a significant factor in determining the resonance Raman overtone intensities up to v = 9.en_HK
dc.languageengen_HK
dc.publisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/00268976.aspen_HK
dc.relation.ispartofMolecular Physicsen_HK
dc.titleFemtosecond photodissociation dynamics of nitroethane and 1-nitropropane in the gas and solution phases from resonance Raman intensity analysisen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0026-8976&volume=88&spage=517&epage=531&date=1996&atitle=Femtosecond+photodissociation+dynamics+of+nitroethane+and+1-Nitropropane+in+the+gas+and+solution+phases+from+resonance+raman+intensity+analysisen_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1080/00268979650026505-
dc.identifier.scopuseid_2-s2.0-0007024395en_HK
dc.identifier.hkuros21551en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0007024395&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume88en_HK
dc.identifier.issue2en_HK
dc.identifier.spage517en_HK
dc.identifier.epage531en_HK
dc.identifier.isiWOS:A1996UN98500016-
dc.publisher.placeUnited Kingdomen_HK
dc.identifier.scopusauthoridKwok, WM=7103129332en_HK
dc.identifier.scopusauthoridHung, MS=7202454312en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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