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Article: Transient resonance Raman and density functional theory investigation of bromomethyl radical

TitleTransient resonance Raman and density functional theory investigation of bromomethyl radical
Authors
Issue Date2000
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett
Citation
Chemical Physics Letters, 2000, v. 328 n. 1-2, p. 113-118 How to Cite?
AbstractWe have obtained transient resonance Raman spectra of CH2Br produced following A-band excitation of dibromomethane and performed density functional theory computations to estimate the vibrational frequencies and electronic transition energies of the CH2Br radical. Our results indicate the CH2Br radical has a C-Br bond longer than in the parent CH2Br2 molecule but shorter than in a typical bromoalkane. Both the experimental and calculated resonance Raman spectra which display a strong overtone progression in the nominal C-Br stretch mode suggest that the first excited electronic state of the CH2Br radical experiences motion mostly along the C-Br bond in the Franck-Condon region.
Persistent Identifierhttp://hdl.handle.net/10722/69347
ISSN
2015 Impact Factor: 1.86
2015 SCImago Journal Rankings: 0.757
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorChong, CKen_HK
dc.contributor.authorZheng, Xen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2010-09-06T06:12:50Z-
dc.date.available2010-09-06T06:12:50Z-
dc.date.issued2000en_HK
dc.identifier.citationChemical Physics Letters, 2000, v. 328 n. 1-2, p. 113-118en_HK
dc.identifier.issn0009-2614en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69347-
dc.description.abstractWe have obtained transient resonance Raman spectra of CH2Br produced following A-band excitation of dibromomethane and performed density functional theory computations to estimate the vibrational frequencies and electronic transition energies of the CH2Br radical. Our results indicate the CH2Br radical has a C-Br bond longer than in the parent CH2Br2 molecule but shorter than in a typical bromoalkane. Both the experimental and calculated resonance Raman spectra which display a strong overtone progression in the nominal C-Br stretch mode suggest that the first excited electronic state of the CH2Br radical experiences motion mostly along the C-Br bond in the Franck-Condon region.en_HK
dc.languageengen_HK
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cpletten_HK
dc.relation.ispartofChemical Physics Lettersen_HK
dc.rightsChemical Physics Letters. Copyright © Elsevier BV.en_HK
dc.titleTransient resonance Raman and density functional theory investigation of bromomethyl radicalen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0009-2614&volume=328&spage=113&epage=118&date=2000&atitle=Transient+resonance+Raman+and+density+functional+theory+investigation+of+bromomethyl+radicalen_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S0009-2614(00)00905-2-
dc.identifier.scopuseid_2-s2.0-0001268231en_HK
dc.identifier.hkuros62395en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0001268231&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume328en_HK
dc.identifier.issue1-2en_HK
dc.identifier.spage113en_HK
dc.identifier.epage118en_HK
dc.identifier.isiWOS:000089549400017-
dc.publisher.placeNetherlandsen_HK
dc.identifier.scopusauthoridChong, CK=7202196276en_HK
dc.identifier.scopusauthoridZheng, X=7404090253en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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