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Article: Investigation of the short-time photodissociation dynamics of trans-1-bromo-2-iodoethane in the A-band absorption

TitleInvestigation of the short-time photodissociation dynamics of trans-1-bromo-2-iodoethane in the A-band absorption
Authors
KeywordsPhysics chemistry
Issue Date1999
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp
Citation
Journal Of Chemical Physics, 1999, v. 110 n. 3, p. 1638-1649 How to Cite?
AbstractWe have obtained resonance Raman spectra and absolute Raman cross section measurements at five excitation wavelengths within the A-band absorption for 1-bromo-2-iodoethane in cyclohexane solution. The resonance Raman spectra have most of their intensity in the fundamentals, overtones, and combination bands of six Franck-Condon active vibrational modes; the nominal CCI bend, C-I stretch, C-Br stretch, C-C stretch, CH 2 wag with the Br atom attached to the CH 2 group, and CH 2 wag with the I atom attached to the CH 2 group. The resonance Raman intensities and A-band absorption spectrum were simulated using a simple model and time-dependent wave packet calculations. The simulation results and normal mode descriptions were used to find the short-time photodissociation dynamics in terms of internal coordinate displacements. The A-band short-time photodissociation dynamics for trans-1-bromo-2-iodoethane show that the C-I, C-Br, and C-C bonds as well as the CCI, CCBr, HCC, ICH, and BrCH angles have significant changes during the initial stages of the photodissociation reaction. This indicates the photodissociation reaction has a large degree of multidimensional character and suggests that the bromoethyl photofragment receives substantial internal excitation in so far as the short-time photodissociation dynamics determines the energy partitioning. Comparison of our results for 1-bromo-2-iodoethane with the A-band short-time dynamics of iodoethane, 1-chloro-2-iodoethane, and 1,2-diiodoethane and the trends observed for their A-band absorption spectra suggest that both the C-I and C-Br bonds experience a noticeable amount of photoexcitation. © 1999 American Institute of Physics.
Persistent Identifierhttp://hdl.handle.net/10722/42347
ISSN
2015 Impact Factor: 2.894
2015 SCImago Journal Rankings: 0.959
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorZheng, Xen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2007-01-29T08:47:29Z-
dc.date.available2007-01-29T08:47:29Z-
dc.date.issued1999en_HK
dc.identifier.citationJournal Of Chemical Physics, 1999, v. 110 n. 3, p. 1638-1649en_HK
dc.identifier.issn0021-9606en_HK
dc.identifier.urihttp://hdl.handle.net/10722/42347-
dc.description.abstractWe have obtained resonance Raman spectra and absolute Raman cross section measurements at five excitation wavelengths within the A-band absorption for 1-bromo-2-iodoethane in cyclohexane solution. The resonance Raman spectra have most of their intensity in the fundamentals, overtones, and combination bands of six Franck-Condon active vibrational modes; the nominal CCI bend, C-I stretch, C-Br stretch, C-C stretch, CH 2 wag with the Br atom attached to the CH 2 group, and CH 2 wag with the I atom attached to the CH 2 group. The resonance Raman intensities and A-band absorption spectrum were simulated using a simple model and time-dependent wave packet calculations. The simulation results and normal mode descriptions were used to find the short-time photodissociation dynamics in terms of internal coordinate displacements. The A-band short-time photodissociation dynamics for trans-1-bromo-2-iodoethane show that the C-I, C-Br, and C-C bonds as well as the CCI, CCBr, HCC, ICH, and BrCH angles have significant changes during the initial stages of the photodissociation reaction. This indicates the photodissociation reaction has a large degree of multidimensional character and suggests that the bromoethyl photofragment receives substantial internal excitation in so far as the short-time photodissociation dynamics determines the energy partitioning. Comparison of our results for 1-bromo-2-iodoethane with the A-band short-time dynamics of iodoethane, 1-chloro-2-iodoethane, and 1,2-diiodoethane and the trends observed for their A-band absorption spectra suggest that both the C-I and C-Br bonds experience a noticeable amount of photoexcitation. © 1999 American Institute of Physics.en_HK
dc.format.extent196557 bytes-
dc.format.extent30208 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.languageengen_HK
dc.publisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jspen_HK
dc.relation.ispartofJournal of Chemical Physicsen_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.subjectPhysics chemistryen_HK
dc.titleInvestigation of the short-time photodissociation dynamics of trans-1-bromo-2-iodoethane in the A-band absorptionen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0021-9606&volume=110&issue=3&spage=1638&epage=1649&date=1999&atitle=Investigation+of+the+short-time+photodissociation+dynamics+of+trans-1-bromo-2-iodoethane+in+the+A-band+absorptionen_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1063/1.477805en_HK
dc.identifier.scopuseid_2-s2.0-0001676891en_HK
dc.identifier.hkuros43762-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0001676891&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume110en_HK
dc.identifier.issue3en_HK
dc.identifier.spage1638en_HK
dc.identifier.epage1649en_HK
dc.identifier.isiWOS:000078030500035-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridZheng, X=7404090253en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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