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Article: Effect of geometrical conformation on the short-time photodissociation dynamics of 1-iodopropane in the A-band absorption

TitleEffect of geometrical conformation on the short-time photodissociation dynamics of 1-iodopropane in the A-band absorption
Authors
KeywordsPhysics chemistry
Issue Date1998
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp
Citation
Journal of Chemical Physics, 1998, v. 108 n. 14, p. 5772-5783 How to Cite?
AbstractWe have taken resonance Roman spectra and made absolute Raman cross section measurements at six excitation wavelengths for 1-iodopropane. The resonance Raman spectra have most of their Raman intensity in features that may be assigned as fundamentals, overtones, and combination bands of three Franck-Condon active vibrational modes (the nominal C-I stretch, the nominal CCC bend, and the nominal CCI bend) for the trans and gauche conformations of 1-iodopropane. The resonance Raman and absorption cross sections of the trans and gauche conformations of 1-iodopropane were simulated using a simple model and time-dependent wave packet calculations. The results of the simulations were used in conjunction with the vibrational normal-mode coefficients to find the short-time photodissociation dynamics of trans and gauche conformers of 1-iodopropane in terms of internal coordinate changes. The trans and gauche conformers display significantly different Franck-Condon region photodissociation dynamics, which indicates that the C-I bond breaking is conformational dependent. In particular, there are large differences in the trans and gauche short-time photodissociation dynamics for the torsional motion (xGBx) about the GB carbon-carbon bond and the GBC angle (where C=α-carbon atom attached to the iodine atom, B=β-carbon atom attached to the α-carbon atom. G=methyl group carbon atom attached to the β-carbon atom). The major differences in the trans and gauche A-band short-time photodissociation dynamics can be mostly explained by the position of the C-I bond in the trans and gauche conformers relative to the plane of the three carbon atoms of the n-propyl group of 1-iodopropane. © 1998 American Institute of Physics.
Persistent Identifierhttp://hdl.handle.net/10722/42342
ISSN
2017 Impact Factor: 2.843
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.accessioned2007-01-29T08:47:23Z-
dc.date.available2007-01-29T08:47:23Z-
dc.date.issued1998en_HK
dc.identifier.citationJournal of Chemical Physics, 1998, v. 108 n. 14, p. 5772-5783-
dc.identifier.issn0021-9606en_HK
dc.identifier.urihttp://hdl.handle.net/10722/42342-
dc.description.abstractWe have taken resonance Roman spectra and made absolute Raman cross section measurements at six excitation wavelengths for 1-iodopropane. The resonance Raman spectra have most of their Raman intensity in features that may be assigned as fundamentals, overtones, and combination bands of three Franck-Condon active vibrational modes (the nominal C-I stretch, the nominal CCC bend, and the nominal CCI bend) for the trans and gauche conformations of 1-iodopropane. The resonance Raman and absorption cross sections of the trans and gauche conformations of 1-iodopropane were simulated using a simple model and time-dependent wave packet calculations. The results of the simulations were used in conjunction with the vibrational normal-mode coefficients to find the short-time photodissociation dynamics of trans and gauche conformers of 1-iodopropane in terms of internal coordinate changes. The trans and gauche conformers display significantly different Franck-Condon region photodissociation dynamics, which indicates that the C-I bond breaking is conformational dependent. In particular, there are large differences in the trans and gauche short-time photodissociation dynamics for the torsional motion (xGBx) about the GB carbon-carbon bond and the GBC angle (where C=α-carbon atom attached to the iodine atom, B=β-carbon atom attached to the α-carbon atom. G=methyl group carbon atom attached to the β-carbon atom). The major differences in the trans and gauche A-band short-time photodissociation dynamics can be mostly explained by the position of the C-I bond in the trans and gauche conformers relative to the plane of the three carbon atoms of the n-propyl group of 1-iodopropane. © 1998 American Institute of Physics.en_HK
dc.format.extent168207 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 1998 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, 1998, v. 108 n. 14, p. 5772-5783 and may be found at https://doi.org/10.1063/1.475988-
dc.subjectPhysics chemistryen_HK
dc.titleEffect of geometrical conformation on the short-time photodissociation dynamics of 1-iodopropane in the A-band absorptionen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0021-9606&volume=108&issue=14&spage=5772&epage=5783&date=1998&atitle=Effect+of+geometrical+conformation+on+the+short-time+photodissociation+dynamics+of+1-iodopropane+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.doi10.1063/1.475988en_HK
dc.identifier.scopuseid_2-s2.0-0000348759en_HK
dc.identifier.hkuros31685-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0000348759&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume108en_HK
dc.identifier.issue14en_HK
dc.identifier.spage5772en_HK
dc.identifier.epage5783en_HK
dc.identifier.isiWOS:000073010400017-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridZheng, X=7404090253en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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