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Article: A case of fast photocyclization: The model of a downhill ladder reaction pathway for the bichromophoric phototrigger 3′,5′-dimethoxybenzoin acetate

TitleA case of fast photocyclization: The model of a downhill ladder reaction pathway for the bichromophoric phototrigger 3′,5′-dimethoxybenzoin acetate
Authors
Issue Date2010
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/orlef7/index.html
Citation
Organic Letters, 2010, v. 12 n. 22, p. 5108-5111 How to Cite?
AbstractA downhill ladder reaction pathway for the bichromophoric phototrigger 3′,5′-dimethoxybenzoin acetate was mapped using ab initio multiconfigurational methods. These computational results explicitly describe a case of fast photocyclization that overcomes two small barriers (<5.0 kcal/mol) and undergoes three internal conversions (ICs) via efficient nonadiabatic relay of conical intersections among long and short distance charge transfer excited states as well as the nπ* excited and ground states. This novel reaction pathway is a consequence of the interaction of the two chromophores. © 2010 American Chemical Society.
Persistent Identifierhttp://hdl.handle.net/10722/138989
ISSN
2015 Impact Factor: 6.732
2015 SCImago Journal Rankings: 3.187
ISI Accession Number ID
Funding AgencyGrant Number
FANEDD200932
Major State Basic Research Development Programs2004CB719903
Research Grants Council of Hong KongHKU 7039/07P
NSFC20973025
NSFC20720102038
Funding Information:

This work was financially supported by FANEDD 200932 and NSFC20973025 to X.B.C. and NSFC20720102038 and Major State Basic Research Development Programs 2004CB719903 to W.H.F. and by a grant from the Research Grants Council of Hong Kong (HKU 7039/07P) to D.L.P.

References

 

DC FieldValueLanguage
dc.contributor.authorChen, Xen_HK
dc.contributor.authorMa, Cen_HK
dc.contributor.authorPhillips, DLen_HK
dc.contributor.authorFang, WHen_HK
dc.date.accessioned2011-09-23T05:43:45Z-
dc.date.available2011-09-23T05:43:45Z-
dc.date.issued2010en_HK
dc.identifier.citationOrganic Letters, 2010, v. 12 n. 22, p. 5108-5111en_HK
dc.identifier.issn1523-7060en_HK
dc.identifier.urihttp://hdl.handle.net/10722/138989-
dc.description.abstractA downhill ladder reaction pathway for the bichromophoric phototrigger 3′,5′-dimethoxybenzoin acetate was mapped using ab initio multiconfigurational methods. These computational results explicitly describe a case of fast photocyclization that overcomes two small barriers (<5.0 kcal/mol) and undergoes three internal conversions (ICs) via efficient nonadiabatic relay of conical intersections among long and short distance charge transfer excited states as well as the nπ* excited and ground states. This novel reaction pathway is a consequence of the interaction of the two chromophores. © 2010 American Chemical Society.en_HK
dc.languageengen_US
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/orlef7/index.htmlen_HK
dc.relation.ispartofOrganic Lettersen_HK
dc.subject.meshAcetates - chemistry-
dc.subject.meshBenzoin - analogs and derivatives - chemistry-
dc.subject.meshCyclization-
dc.subject.meshModels, Chemical-
dc.subject.meshThermodynamics-
dc.titleA case of fast photocyclization: The model of a downhill ladder reaction pathway for the bichromophoric phototrigger 3′,5′-dimethoxybenzoin acetateen_HK
dc.typeArticleen_HK
dc.identifier.emailMa, C:macs@hkucc.hku.hken_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityMa, C=rp00758en_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/ol102208sen_HK
dc.identifier.pmid20945852-
dc.identifier.scopuseid_2-s2.0-78449291885en_HK
dc.identifier.hkuros194576en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-78449291885&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume12en_HK
dc.identifier.issue22en_HK
dc.identifier.spage5108en_HK
dc.identifier.epage5111en_HK
dc.identifier.isiWOS:000284080400007-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridChen, X=35781706600en_HK
dc.identifier.scopusauthoridMa, C=7402924979en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK
dc.identifier.scopusauthoridFang, WH=7202236871en_HK

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