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j.cplett.2014.03.060.pdf | 2.77 MB | Adobe PDF | 見る/開く |
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dc.contributor.author | Petrova, Galina P. | en |
dc.contributor.author | Ke, Zhuofeng | en |
dc.contributor.author | Park, Soyoung | en |
dc.contributor.author | Sugiyama, Hiroshi | en |
dc.contributor.author | Morokuma, Keiji | en |
dc.contributor.alternative | 諸熊, 奎治 | ja |
dc.date.accessioned | 2014-06-02T01:11:15Z | - |
dc.date.available | 2014-06-02T01:11:15Z | - |
dc.date.issued | 2014-04-29 | - |
dc.identifier.issn | 0009-2614 | - |
dc.identifier.uri | http://hdl.handle.net/2433/187392 | - |
dc.description.abstract | The present theoretical investigation aims at understanding the origin of enantioselectivity of intramolecular Friedel–Crafts reaction, catalyzed by supramolecular Cu/DNA catalyst. 28 Conformations of the supramolecular L-Cu(II)-R/d(CAAAAATTTTTG)2 complex were thoroughly modeled to estimate their stability and structural features depending on the metal complex conformation and its intercalation position. The preferred formation of S-product can be rationalized by the higher binding energy of pro-S conformations to DNA. Pro-S conformations are structurally closer to the expected C3–C2′ bond formation TS and usually not deeply buried into DNA, which would facilitate TS formation by decreasing the energy for conformational changes. | en |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Elsevier B.V. | en |
dc.rights | © 2014 Elsevier B.V. | en |
dc.rights | This is not the published version. Please cite only the published version. | en |
dc.rights | この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。 | ja |
dc.title | The origin of enantioselectivity for intramolecular Friedel–Crafts reaction catalyzed by supramolecular Cu/DNA catalyst complex | en |
dc.type | journal article | - |
dc.type.niitype | Journal Article | - |
dc.identifier.ncid | AA00602122 | - |
dc.identifier.jtitle | Chemical Physics Letters | en |
dc.identifier.volume | 600 | - |
dc.identifier.spage | 87 | - |
dc.identifier.epage | 95 | - |
dc.relation.doi | 10.1016/j.cplett.2014.03.060 | - |
dc.textversion | author | - |
dcterms.accessRights | open access | - |
出現コレクション: | 学術雑誌掲載論文等 |
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