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- Publisher Website: 10.1021/ol102208s
- Scopus: eid_2-s2.0-78449291885
- PMID: 20945852
- WOS: WOS:000284080400007
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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
Title | A case of fast photocyclization: The model of a downhill ladder reaction pathway for the bichromophoric phototrigger 3′,5′-dimethoxybenzoin acetate | ||||||||||||
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Authors | |||||||||||||
Issue Date | 2010 | ||||||||||||
Publisher | American 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? | ||||||||||||
Abstract | A 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 Identifier | http://hdl.handle.net/10722/138989 | ||||||||||||
ISSN | 2023 Impact Factor: 4.9 2023 SCImago Journal Rankings: 1.245 | ||||||||||||
ISI Accession Number ID |
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 Field | Value | Language |
---|---|---|
dc.contributor.author | Chen, X | en_HK |
dc.contributor.author | Ma, C | en_HK |
dc.contributor.author | Phillips, DL | en_HK |
dc.contributor.author | Fang, WH | en_HK |
dc.date.accessioned | 2011-09-23T05:43:45Z | - |
dc.date.available | 2011-09-23T05:43:45Z | - |
dc.date.issued | 2010 | en_HK |
dc.identifier.citation | Organic Letters, 2010, v. 12 n. 22, p. 5108-5111 | en_HK |
dc.identifier.issn | 1523-7060 | en_HK |
dc.identifier.uri | http://hdl.handle.net/10722/138989 | - |
dc.description.abstract | A 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.language | eng | en_US |
dc.publisher | American Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/orlef7/index.html | en_HK |
dc.relation.ispartof | Organic Letters | en_HK |
dc.subject.mesh | Acetates - chemistry | - |
dc.subject.mesh | Benzoin - analogs and derivatives - chemistry | - |
dc.subject.mesh | Cyclization | - |
dc.subject.mesh | Models, Chemical | - |
dc.subject.mesh | Thermodynamics | - |
dc.title | A case of fast photocyclization: The model of a downhill ladder reaction pathway for the bichromophoric phototrigger 3′,5′-dimethoxybenzoin acetate | en_HK |
dc.type | Article | en_HK |
dc.identifier.email | Ma, C:macs@hkucc.hku.hk | en_HK |
dc.identifier.email | Phillips, DL:phillips@hku.hk | en_HK |
dc.identifier.authority | Ma, C=rp00758 | en_HK |
dc.identifier.authority | Phillips, DL=rp00770 | en_HK |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1021/ol102208s | en_HK |
dc.identifier.pmid | 20945852 | - |
dc.identifier.scopus | eid_2-s2.0-78449291885 | en_HK |
dc.identifier.hkuros | 194576 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-78449291885&selection=ref&src=s&origin=recordpage | en_HK |
dc.identifier.volume | 12 | en_HK |
dc.identifier.issue | 22 | en_HK |
dc.identifier.spage | 5108 | en_HK |
dc.identifier.epage | 5111 | en_HK |
dc.identifier.isi | WOS:000284080400007 | - |
dc.publisher.place | United States | en_HK |
dc.identifier.scopusauthorid | Chen, X=35781706600 | en_HK |
dc.identifier.scopusauthorid | Ma, C=7402924979 | en_HK |
dc.identifier.scopusauthorid | Phillips, DL=7404519365 | en_HK |
dc.identifier.scopusauthorid | Fang, WH=7202236871 | en_HK |
dc.identifier.issnl | 1523-7052 | - |