Recent Advances for Reaction Mechanisms of Metal-Catalyzed Activations of Carbon-Containing Bonds with the Aid of Density Functional Calculations
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- Mori Seiji
- Institute of Quantum Beam Sciences, Graduate School of Science and Engineering, Ibaraki University
Bibliographic Information
- Other Title
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- 密度汎関数法計算で解明された金属触媒による炭素不活性結合の活性化反応機構に関する最近の進展
- ミツド ハンカンスウホウ ケイサン デ カイメイ サレタ キンゾク ショクバイ ニ ヨル タンソ フカッセイ ケツゴウ ノ カッセイカ ハンノウ キコウ ニ カンスル サイキン ノ シンテン
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Abstract
Homogeneous metal-catalyzed molecular bond activation reactions have been developed in the respect of effective atom economy and efficiency. Despite of rapid development of these reactions, experimental studies of mechanisms are reported in behind and much less compared with the examples of the reactions. Sophisticated Density Functional Theory (DFT) calculations enable us to predict the mechanisms and catalysis design. In addition, whereas there are excellent reviews available for C−H activation reactions, there have been only a few reviews published for C−C and C−X (X = O and N) bond activation reactions. We focus the recent examples of the latter reactions in addition to the overview of the DFT methods for experimental chemists.
Journal
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- Bulletin of Japan Society of Coordination Chemistry
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Bulletin of Japan Society of Coordination Chemistry 72 (0), 15-29, 2018-11-30
Japan Society of Coordination Chemistry