File Download
  Links for fulltext
     (May Require Subscription)
Supplementary

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
2020 Impact Factor: 3.488
2020 SCImago Journal Rankings: 1.071
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. 5842-5857-
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.rightsCopyright 1996 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of Chemical Physics, 1996, v. 105 n. 14, p. 5842-5857 and may be found at https://doi.org/10.1063/1.472426-
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
dc.identifier.issnl0021-9606-

Export via OAI-PMH Interface in XML Formats


OR


Export to Other Non-XML Formats