2015 Fiscal Year Final Research Report
Theoretical Studies on Controlling System in Chiral Bronsted Acid Catalyzed Reactions
| Project Area | Advanced Molecular Transformations by Organocatalysts |
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| Project/Area Number |
23105005
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| Research Category |
Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | Rikkyo University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
TSUZUKI Seiji 国立研究開発法人産業技術総合研究所, 機能材料コンピュテーショナルデザイン研究センター, 上級主任研究員 (10357527)
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| Research Collaborator |
UCHIMARU Tadafumi
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| Project Period (FY) |
2011-04-01 – 2016-03-31
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| Keywords | 有機分子触媒 / 計算化学 / 反応機構 / リン酸触媒 / グアニジン触媒 / 求核触媒 / ハロゲン結合 |
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| Outline of Final Research Achievements |
Recent development of computational chemistry has now made theoretical approach a powerful tool to gain deep insights into the origins of chemo-, regio-, and stereoselectivities in asymmetric organocatalysis. Toward the rational design and development of high-performance organocatalysts, controlling systems in various asymmetric organocatalysis has been continuously investigated together with great collaborators. We herein elucidated that the major factors in controlling selectivities of asymmetric organocatalysis are the precised networks of multiple hydrogen bonds and attractive dispersion interactions between organocatalyst and substrates.
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| Free Research Field |
有機化学・計算化学
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