ISCR 2026 conferences - Masahiro Terada
Computational molecular refinement to enhance/change stereoselectivity by reinforcing
The Rennes Institute of Chemical Sciences (ISCR) is pleased to welcome in Rennes Masahiro Terada (Department of Chemistry Graduate School of Science, Tohoku University, Japan) on Thursday, July 9, 2026. The conference will take place at 2:00 pm in room 160, building 10B, Beaulieu Campus.
Abstract
In the development of catalytic enantioselective reactions, computational studies have aided in the design of catalysts and the modification of reaction systems in recent years. Computational analyses have revealed that the distortion of the chiral catalyst and the substrates and their interactions are key to determining the stability of the transition state (TS). Hence, two strategies – “distortion strategy” and “interaction strategy” – can be proposed for improving enantioselectivity (Figure). The “distortion strategy” is commonly used as a conventional approach; the repulsive steric effect is the primary factor that destabilizes the TS of the minor reaction pathway.
On the other hand, the “interaction strategy” focuses on the stabilization of the TS of the major reaction pathway by reinforcing molecular interaction, such as hydrogen bonding and π-stacking, and an enhancement of the reaction rate is expected. [...]
Flyer
Contact
Claudia Lalli, claudia.lalli@univ-rennes.fr
