File Download
  Links for fulltext
     (May Require Subscription)
Supplementary

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
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.accessioned2007-01-29T08:47:23Z-
dc.date.available2007-01-29T08:47:23Z-
dc.date.issued1998en_HK
dc.identifier.citationJournal Of Chemical Physics, 1998, v. 108 n. 14, p. 5772-5783en_HK
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.rightsCreative Commons: Attribution 3.0 Hong Kong License-
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

Export via OAI-PMH Interface in XML Formats


OR


Export to Other Non-XML Formats