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Article: Investigation of the effects of substitution position on the radical anions of chlorobiphenyls

TitleInvestigation of the effects of substitution position on the radical anions of chlorobiphenyls
Authors
Pan, DPhillips, DL
Issue Date2000
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett
Citation
Chemical Physics Letters, 2000, v. 318 n. 1-3, p. 214-221 How to Cite?
DOI: http://dx.doi.org/10.1016/S0009-2614(00)00025-7
AbstractWe report density functional theory calculations for the radical anions of 4-chlorobiphenyl, 3-chlorobiphenyl, 2-chlorobiphenyl, 2,2′-dichlorobiphenyl, 2-fluorobiphenyl, 2-methylbiphenyl and biphenyl in order to investigate how their structures are affected by substitution position and type of substituent at the ortho position. We also compare the optimized structures for these radical anions to corresponding results for the radical cations and neutral molecules. The chlorobiphenyl radical anions have weaker C-Cl bonds than the radical cations or the T1 triplet state of the neutral molecule.
Persistent Identifierhttp://hdl.handle.net/10722/167338
ISSN
0009-2614
2021 Impact Factor: 2.719
2020 SCImago Journal Rankings: 0.509
ISI Accession Number ID
WOS:000085529000035
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorPan, Den_US
dc.contributor.authorPhillips, DLen_US
dc.date.accessioned2012-10-08T03:05:48Z-
dc.date.available2012-10-08T03:05:48Z-
dc.date.issued2000en_US
dc.identifier.citationChemical Physics Letters, 2000, v. 318 n. 1-3, p. 214-221en_US
dc.identifier.issn0009-2614en_US
dc.identifier.urihttp://hdl.handle.net/10722/167338-
dc.description.abstractWe report density functional theory calculations for the radical anions of 4-chlorobiphenyl, 3-chlorobiphenyl, 2-chlorobiphenyl, 2,2′-dichlorobiphenyl, 2-fluorobiphenyl, 2-methylbiphenyl and biphenyl in order to investigate how their structures are affected by substitution position and type of substituent at the ortho position. We also compare the optimized structures for these radical anions to corresponding results for the radical cations and neutral molecules. The chlorobiphenyl radical anions have weaker C-Cl bonds than the radical cations or the T1 triplet state of the neutral molecule.en_US
dc.languageengen_US
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cpletten_US
dc.relation.ispartofChemical Physics Lettersen_US
dc.titleInvestigation of the effects of substitution position on the radical anions of chlorobiphenylsen_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.doi10.1016/S0009-2614(00)00025-7-
dc.identifier.scopuseid_2-s2.0-0001310572en_US
dc.identifier.hkuros51201-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0001310572&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume318en_US
dc.identifier.issue1-3en_US
dc.identifier.spage214en_US
dc.identifier.epage221en_US
dc.identifier.isiWOS:000085529000035-
dc.publisher.placeNetherlandsen_US
dc.identifier.scopusauthoridPan, D=7202085030en_US
dc.identifier.scopusauthoridPhillips, DL=7404519365en_US
dc.identifier.issnl0009-2614-

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