2022 Fiscal Year Final Research Report
Transition state control study of carbon-hydrogen bond activation reactions
Project/Area Number |
15KT0063
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Research Category |
Grant-in-Aid for Scientific Research (B)
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Allocation Type | Multi-year Fund |
Section | 特設分野 |
Research Field |
Transition State Control
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Research Institution | Osaka University |
Principal Investigator |
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Project Period (FY) |
2015-07-10 – 2023-03-31
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Keywords | 遷移状態 / 金属ナノ粒子触媒 / 炭素ー水素結合活性化反応 |
Outline of Final Research Achievements |
In this study, organic chemistry, analytical chemistry, and computational science collaborate and share information closely to clarify the "essence of transition metal catalyzed reaction such as carbon-hydrogen bond activation reactions," which is conventionally a black box, and to "control the transition state of the above reactions" and "establish guidelines for the design of inexpensive and excellent". The goals of this project are to clarify the nature of the above reactions, control the transition state of carbon-hydrogen bond activation reactions, and establish guidelines for designing inexpensive and superior catalysts. In this study, the above reactions are measured in both homogeneous catalyst systems and nanoparticle catalyst systems. For both systems, the role of rate-limiting step determinations, bases, and solvents was investigated.
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Free Research Field |
有機化学
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Academic Significance and Societal Importance of the Research Achievements |
実験系においては、計算化学を進める上で必要な対照実験を展開するとともに、触媒の状態(ナノ粒子触媒の酸化数や粒子系)をトンネル型電子顕微鏡(TEM)および大型放射光施設でのX線吸収微細構造解析(XAFS)を用いて収集した。さらに、ナノ粒子触媒による新たな反応例を見出した。 以上、本研究は、有機化学・分析化学・計算科学の三者が手を組み、緊密に情報を共有する異分野共同研究体制下、均一系金属触媒および金属ナノ粒子触媒の 炭素―水素結合活性化反応における遷移状態について検証を重ねることができた。
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