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Article: Transient resonance Raman and density functional theory investigation of bromomethyl radical
Title | Transient resonance Raman and density functional theory investigation of bromomethyl radical |
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Authors | |
Issue Date | 2000 |
Publisher | Elsevier 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? |
Abstract | We 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 Identifier | http://hdl.handle.net/10722/69347 |
ISSN | 2023 Impact Factor: 2.8 2023 SCImago Journal Rankings: 0.502 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
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dc.contributor.author | Chong, CK | en_HK |
dc.contributor.author | Zheng, X | en_HK |
dc.contributor.author | Phillips, DL | en_HK |
dc.date.accessioned | 2010-09-06T06:12:50Z | - |
dc.date.available | 2010-09-06T06:12:50Z | - |
dc.date.issued | 2000 | en_HK |
dc.identifier.citation | Chemical Physics Letters, 2000, v. 328 n. 1-2, p. 113-118 | en_HK |
dc.identifier.issn | 0009-2614 | en_HK |
dc.identifier.uri | http://hdl.handle.net/10722/69347 | - |
dc.description.abstract | We 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.language | eng | en_HK |
dc.publisher | Elsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett | en_HK |
dc.relation.ispartof | Chemical Physics Letters | en_HK |
dc.rights | Chemical Physics Letters. Copyright © Elsevier BV. | en_HK |
dc.title | Transient resonance Raman and density functional theory investigation of bromomethyl radical | en_HK |
dc.type | Article | en_HK |
dc.identifier.openurl | http://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+radical | en_HK |
dc.identifier.email | Phillips, DL:phillips@hku.hk | en_HK |
dc.identifier.authority | Phillips, DL=rp00770 | en_HK |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1016/S0009-2614(00)00905-2 | - |
dc.identifier.scopus | eid_2-s2.0-0001268231 | en_HK |
dc.identifier.hkuros | 62395 | en_HK |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-0001268231&selection=ref&src=s&origin=recordpage | en_HK |
dc.identifier.volume | 328 | en_HK |
dc.identifier.issue | 1-2 | en_HK |
dc.identifier.spage | 113 | en_HK |
dc.identifier.epage | 118 | en_HK |
dc.identifier.isi | WOS:000089549400017 | - |
dc.publisher.place | Netherlands | en_HK |
dc.identifier.scopusauthorid | Chong, CK=7202196276 | en_HK |
dc.identifier.scopusauthorid | Zheng, X=7404090253 | en_HK |
dc.identifier.scopusauthorid | Phillips, DL=7404519365 | en_HK |
dc.identifier.issnl | 0009-2614 | - |