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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
Title | Short-time photodissociation dynamics of A-band and B-band bromoiodomethane in solution: An examination of bond selective electronic excitation |
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Authors | |
Keywords | Physics chemistry |
Issue Date | 1996 |
Publisher | American 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? |
Abstract | We 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 Identifier | http://hdl.handle.net/10722/42339 |
ISSN | 2023 Impact Factor: 3.1 2023 SCImago Journal Rankings: 1.101 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
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dc.contributor.author | Man, SQ | en_HK |
dc.contributor.author | Kwok, WM | en_HK |
dc.contributor.author | Lee Phillips, D | en_HK |
dc.contributor.author | Johnson, AE | en_HK |
dc.date.accessioned | 2007-01-29T08:47:18Z | - |
dc.date.available | 2007-01-29T08:47:18Z | - |
dc.date.issued | 1996 | en_HK |
dc.identifier.citation | Journal of Chemical Physics, 1996, v. 105 n. 14, p. 5842-5857 | - |
dc.identifier.issn | 0021-9606 | en_HK |
dc.identifier.uri | http://hdl.handle.net/10722/42339 | - |
dc.description.abstract | We 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.extent | 251990 bytes | - |
dc.format.extent | 30208 bytes | - |
dc.format.mimetype | application/pdf | - |
dc.format.mimetype | application/msword | - |
dc.language | eng | en_HK |
dc.publisher | American Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp | en_HK |
dc.relation.ispartof | Journal of Chemical Physics | en_HK |
dc.rights | Copyright 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.subject | Physics chemistry | en_HK |
dc.title | Short-time photodissociation dynamics of A-band and B-band bromoiodomethane in solution: An examination of bond selective electronic excitation | en_HK |
dc.type | Article | en_HK |
dc.identifier.openurl | http://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+excitation | en_HK |
dc.identifier.email | Lee Phillips, D:phillips@hku.hk | en_HK |
dc.identifier.authority | Lee Phillips, D=rp00770 | en_HK |
dc.description.nature | published_or_final_version | en_HK |
dc.identifier.doi | 10.1063/1.472426 | en_HK |
dc.identifier.scopus | eid_2-s2.0-0000379629 | en_HK |
dc.identifier.hkuros | 21547 | - |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-0000379629&selection=ref&src=s&origin=recordpage | en_HK |
dc.identifier.volume | 105 | en_HK |
dc.identifier.issue | 14 | en_HK |
dc.identifier.spage | 5842 | en_HK |
dc.identifier.epage | 5857 | en_HK |
dc.identifier.isi | WOS:A1996VL69600019 | - |
dc.publisher.place | United States | en_HK |
dc.identifier.scopusauthorid | Man, SQ=36903027600 | en_HK |
dc.identifier.scopusauthorid | Kwok, WM=7103129332 | en_HK |
dc.identifier.scopusauthorid | Lee Phillips, D=7404519365 | en_HK |
dc.identifier.scopusauthorid | Johnson, AE=7410014462 | en_HK |
dc.identifier.issnl | 0021-9606 | - |