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Article: Short-time photodissociation dynamics of iodoalkanes: refinement using resonance raman intensities of isotopic derivatives

TitleShort-time photodissociation dynamics of iodoalkanes: refinement using resonance raman intensities of isotopic derivatives
Authors
Issue Date1997
PublisherJohn Wiley & Sons Ltd. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/3420
Citation
Journal Of Raman Spectroscopy, 1997, v. 28 n. 11, p. 839-848 How to Cite?
AbstractResonance Raman spectra of 1,1,1,3,3,3-d6-2-iodopropane and d9-tert-butyl iodide in cyclohexane solution were obtained at excitation wavelengths of 266 and 217.8 nm. The 266 nm spectra, resonant with the directly dissociative A-state absorption, display long overtone progressions in the nominal C-I stretch (ca. 500 cm-1) and some intensity in fundamentals, overtones and combination bands of bending and C-C stretching modes. The 266 nm resonance Raman intensities and the A-band absorption spectrum are simultaneously modelled using wavepacket propagation on a multidimensional locally harmonic potential surface. The dimensionless normal coordinate wavepacket motions determined from the simulations are converted into internal coordinate motions by making use of previous results on the isotopically unsubsrituted compounds to remove some of the indeterminacy in the signs of the normal mode displacements. In the first 10 fs the C-I bond lengthens less in these higher alkanes than in iodoethane, suggesting that more of the available energy goes toward C-I bond cleavage in iodoethane. © 1997 John Wiley & Sons, Ltd.
Persistent Identifierhttp://hdl.handle.net/10722/167401
ISSN
2015 Impact Factor: 2.395
2015 SCImago Journal Rankings: 1.075
References

 

DC FieldValueLanguage
dc.contributor.authorPhillips, DLen_US
dc.contributor.authorMyers, ABen_US
dc.date.accessioned2012-10-08T03:06:32Z-
dc.date.available2012-10-08T03:06:32Z-
dc.date.issued1997en_US
dc.identifier.citationJournal Of Raman Spectroscopy, 1997, v. 28 n. 11, p. 839-848en_US
dc.identifier.issn0377-0486en_US
dc.identifier.urihttp://hdl.handle.net/10722/167401-
dc.description.abstractResonance Raman spectra of 1,1,1,3,3,3-d6-2-iodopropane and d9-tert-butyl iodide in cyclohexane solution were obtained at excitation wavelengths of 266 and 217.8 nm. The 266 nm spectra, resonant with the directly dissociative A-state absorption, display long overtone progressions in the nominal C-I stretch (ca. 500 cm-1) and some intensity in fundamentals, overtones and combination bands of bending and C-C stretching modes. The 266 nm resonance Raman intensities and the A-band absorption spectrum are simultaneously modelled using wavepacket propagation on a multidimensional locally harmonic potential surface. The dimensionless normal coordinate wavepacket motions determined from the simulations are converted into internal coordinate motions by making use of previous results on the isotopically unsubsrituted compounds to remove some of the indeterminacy in the signs of the normal mode displacements. In the first 10 fs the C-I bond lengthens less in these higher alkanes than in iodoethane, suggesting that more of the available energy goes toward C-I bond cleavage in iodoethane. © 1997 John Wiley & Sons, Ltd.en_US
dc.languageengen_US
dc.publisherJohn Wiley & Sons Ltd. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/3420en_US
dc.relation.ispartofJournal of Raman Spectroscopyen_US
dc.titleShort-time photodissociation dynamics of iodoalkanes: refinement using resonance raman intensities of isotopic derivativesen_US
dc.typeArticleen_US
dc.identifier.emailPhillips, DL:phillips@hku.hken_US
dc.identifier.authorityPhillips, DL=rp00770en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1002/(SICI)1097-4555(199711)28:11<839::AID-JRS166>3.0.CO;2-1-
dc.identifier.scopuseid_2-s2.0-0011640223en_US
dc.identifier.hkuros31680-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0011640223&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume28en_US
dc.identifier.issue11en_US
dc.identifier.spage839en_US
dc.identifier.epage848en_US
dc.publisher.placeUnited Kingdomen_US
dc.identifier.scopusauthoridPhillips, DL=7404519365en_US
dc.identifier.scopusauthoridMyers, AB=7202743342en_US

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