| Budget Amount *help |
¥15,860,000 (Direct Cost: ¥12,200,000、Indirect Cost: ¥3,660,000)
Fiscal Year 2019: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2018: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2017: ¥6,760,000 (Direct Cost: ¥5,200,000、Indirect Cost: ¥1,560,000)
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| Outline of Final Research Achievements |
Development of highly efficient and selective molecular catalysts with leading theoretical calculations and the establishment of a rational design method for these catalysts were carried out in cooperation with experimental studies. Focusing on asymmetric catalysis of organocatalysts and multinuclear catalysts with multiple interaction points in which various types of transition states are latently existed, we have developed an exhaustive search method for transition states using GRRM and AFIR methods, as well as DFT calculations to elucidate the stereocontrol mechanism. In this research, we have established a certain guideline for the exhaustive search of many potential transition states in the reaction system and clarified high stereoselectivities achieved by stabilizing the transition states through the catalyst/substrate attractive interaction network in which different types of interactions are harmonized on the single reaction sphere.
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