| Budget Amount *help |
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2017: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2015: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Outline of Final Research Achievements |
Asymmetric organocatalysis is one of the most useful methods for a wide variety of enantioselective transformation because of operational simplicity, mild reaction conditions, and the environmentally benign nature of the reaction.1-3 Unlike traditional metal-based catalysts with well-defined metal-ligand coordination, non-covalent interactions, such as hydrogen-bonding interactions, van der Waals interactions, and electrostatic interactions, play a central role in controlling the stereochemical outcome of the organocatalysts. A conformational search program for finding low-energy conformations of large noncovalent complexes has been developed. Quantitatively reliable semiempirical quantum mechanical PM6-DH+ method, which is able to accurately describe noncovalent interactions at a low computational cost, was employed in contrast to conventional conformational search programs in which molecular mechanical methods are usually adopted.
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