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Article: Transient resonance Raman and density functional theory investigation of the chlorine atom/carbon disulfide molecular complex involved in selective alkane photochlorination reactions

TitleTransient resonance Raman and density functional theory investigation of the chlorine atom/carbon disulfide molecular complex involved in selective alkane photochlorination reactions
Authors
Issue Date2002
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/joc
Citation
Journal Of Organic Chemistry, 2002, v. 67 n. 3, p. 747-752 How to Cite?
AbstractThe structure and bonding of the chlorine atom/carbon disulfide (CS2/Cl) complex involved in selective photochlorination reactions with alkanes was directly probed using transient resonance Raman spectroscopy. The experimental Raman vibrational frequencies were compared to those computed from density functional theory calculations for probable structures of the CS2/Cl complex. Our results indicate that the S=C=S···Cl complex species is responsible for the ∼370 nm transient absorption band observed after ultraviolet photolysis of CCl4 in the presence of CS2. We discuss the structure and properties of the S=C=S···Cl complex and compare them with those for the related benzene/Cl and pyridine/Cl complexes.
Persistent Identifierhttp://hdl.handle.net/10722/68773
ISSN
2015 Impact Factor: 4.785
2015 SCImago Journal Rankings: 2.095
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorWang, Den_HK
dc.contributor.authorLi, YLen_HK
dc.contributor.authorWing, SHen_HK
dc.contributor.authorKing, HLen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2010-09-06T06:07:35Z-
dc.date.available2010-09-06T06:07:35Z-
dc.date.issued2002en_HK
dc.identifier.citationJournal Of Organic Chemistry, 2002, v. 67 n. 3, p. 747-752en_HK
dc.identifier.issn0022-3263en_HK
dc.identifier.urihttp://hdl.handle.net/10722/68773-
dc.description.abstractThe structure and bonding of the chlorine atom/carbon disulfide (CS2/Cl) complex involved in selective photochlorination reactions with alkanes was directly probed using transient resonance Raman spectroscopy. The experimental Raman vibrational frequencies were compared to those computed from density functional theory calculations for probable structures of the CS2/Cl complex. Our results indicate that the S=C=S···Cl complex species is responsible for the ∼370 nm transient absorption band observed after ultraviolet photolysis of CCl4 in the presence of CS2. We discuss the structure and properties of the S=C=S···Cl complex and compare them with those for the related benzene/Cl and pyridine/Cl complexes.en_HK
dc.languageengen_HK
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/jocen_HK
dc.relation.ispartofJournal of Organic Chemistryen_HK
dc.titleTransient resonance Raman and density functional theory investigation of the chlorine atom/carbon disulfide molecular complex involved in selective alkane photochlorination reactionsen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0022-3263&volume=67&issue=3&spage=747&epage=752&date=2002&atitle=Transient+resonance+raman+and+density+functional+theory+investigation+of+the+chlorine+atom/carbon+disulfide+molecular+complex+involved+in+selective+alkane+photochlorination+reactionsen_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/jo0107195en_HK
dc.identifier.pmid11856015-
dc.identifier.scopuseid_2-s2.0-0037039936en_HK
dc.identifier.hkuros73891en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0037039936&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume67en_HK
dc.identifier.issue3en_HK
dc.identifier.spage747en_HK
dc.identifier.epage752en_HK
dc.identifier.isiWOS:000173663800019-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridWang, D=8785092500en_HK
dc.identifier.scopusauthoridLi, YL=27168456500en_HK
dc.identifier.scopusauthoridWing, SH=38762347400en_HK
dc.identifier.scopusauthoridKing, HL=8534235500en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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