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Article: Short-time photodissociation dynamics of A-band and B-band bromoiodomethane in solution: An examination of bond selective electronic excitation

TitleShort-time photodissociation dynamics of A-band and B-band bromoiodomethane in solution: An examination of bond selective electronic excitation
Authors
KeywordsPhysics chemistry
Issue Date1996
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp
Citation
Journal Of Chemical Physics, 1996, v. 105 n. 14, p. 5842-5857 How to Cite?
AbstractWe have obtained resonance, Raman spectra and absolute Raman cross section measurements at eight excitation wavelengths in the A-band and B-band absorptions of bromoiodomethane in cyclohexane solution. The resonance Raman intensities and absorption spectra were simulated using a simple model and time-dependent wave packet calculations. Normal mode vibrational descriptions were used with.the results of the calculations to find the short-time photodissociation dynamics in terms of internal coordinates. The A-band short-time photodissociation dynamics indicate that the C-I bond becomes much longer, the C-Br bond becomes smaller, the I-C-Br angle becomes smaller, the H-C-Br angles become larger, the H-C-I angles become smaller, and the H-C-H angle becomes a bit smaller. The B-band short-time photodissociation dynamics indicate the C-Br bond becomes much longer, the C-I bond becomes slightly longer, the I-C-Br angle becomes smaller, the H-C-I angles become larger, the H-C-Br angles become smaller, and the H-C-H angle becomes slightly smaller. Both the A-band and B-band short-time photodissociation dynamics appear to be most consistent with an impulsive "semi-rigid" radical model qualitative description of the photodissociation with the CH 2Br radical changing to a more planar structure in the A-band and the CH 2I radical changing to a more planar structure in the B band. We have carried out a Gaussian deconvolution of the A-band and B-band absorption spectra of bromoiodomethane, as well as iodomethane and bromomethane. The absorption spectra, resonance Raman intensities, and short-time photodissociation dynamics sueeest a moderate amount of coupling of the C-I and C-Br chromophores. © 1996 American Institute of Physics.
Persistent Identifierhttp://hdl.handle.net/10722/42339
ISSN
2015 Impact Factor: 2.894
2015 SCImago Journal Rankings: 0.959
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorMan, SQen_HK
dc.contributor.authorKwok, WMen_HK
dc.contributor.authorLee Phillips, Den_HK
dc.contributor.authorJohnson, AEen_HK
dc.date.accessioned2007-01-29T08:47:18Z-
dc.date.available2007-01-29T08:47:18Z-
dc.date.issued1996en_HK
dc.identifier.citationJournal Of Chemical Physics, 1996, v. 105 n. 14, p. 5842-5857en_HK
dc.identifier.issn0021-9606en_HK
dc.identifier.urihttp://hdl.handle.net/10722/42339-
dc.description.abstractWe have obtained resonance, Raman spectra and absolute Raman cross section measurements at eight excitation wavelengths in the A-band and B-band absorptions of bromoiodomethane in cyclohexane solution. The resonance Raman intensities and absorption spectra were simulated using a simple model and time-dependent wave packet calculations. Normal mode vibrational descriptions were used with.the results of the calculations to find the short-time photodissociation dynamics in terms of internal coordinates. The A-band short-time photodissociation dynamics indicate that the C-I bond becomes much longer, the C-Br bond becomes smaller, the I-C-Br angle becomes smaller, the H-C-Br angles become larger, the H-C-I angles become smaller, and the H-C-H angle becomes a bit smaller. The B-band short-time photodissociation dynamics indicate the C-Br bond becomes much longer, the C-I bond becomes slightly longer, the I-C-Br angle becomes smaller, the H-C-I angles become larger, the H-C-Br angles become smaller, and the H-C-H angle becomes slightly smaller. Both the A-band and B-band short-time photodissociation dynamics appear to be most consistent with an impulsive "semi-rigid" radical model qualitative description of the photodissociation with the CH 2Br radical changing to a more planar structure in the A-band and the CH 2I radical changing to a more planar structure in the B band. We have carried out a Gaussian deconvolution of the A-band and B-band absorption spectra of bromoiodomethane, as well as iodomethane and bromomethane. The absorption spectra, resonance Raman intensities, and short-time photodissociation dynamics sueeest a moderate amount of coupling of the C-I and C-Br chromophores. © 1996 American Institute of Physics.en_HK
dc.format.extent251990 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.titleShort-time photodissociation dynamics of A-band and B-band bromoiodomethane in solution: An examination of bond selective electronic excitationen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0021-9606&volume=105&issue=14&spage=5842&epage=5857&date=1996&atitle=Short-time+photodissociation+dynamics+of+A-band+and+B-band+bromoiodomethane+in+solution:+An+examination+of+bond+selective+electronic+excitationen_HK
dc.identifier.emailLee Phillips, D:phillips@hku.hken_HK
dc.identifier.authorityLee Phillips, D=rp00770en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1063/1.472426en_HK
dc.identifier.scopuseid_2-s2.0-0000379629en_HK
dc.identifier.hkuros21547-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0000379629&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume105en_HK
dc.identifier.issue14en_HK
dc.identifier.spage5842en_HK
dc.identifier.epage5857en_HK
dc.identifier.isiWOS:A1996VL69600019-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridMan, SQ=36903027600en_HK
dc.identifier.scopusauthoridKwok, WM=7103129332en_HK
dc.identifier.scopusauthoridLee Phillips, D=7404519365en_HK
dc.identifier.scopusauthoridJohnson, AE=7410014462en_HK

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