Insight into the Folding and Cooperative Multi-Recognition Mechanism in Supramolecular Anion-Binding Catalysis.

ABSTRACT: H-bond donor catalysts able to modulate the reactivity of ionic substrates for asymmetric reactions have gained great attention in the past years, leading to the development of cooperative multidentate H-bonding supramolecular structures. However, there is still a lack of understanding of the forces driving the ion recognition and catalytic performance of these systems. Herein, insight into the cooperativity nature, anion binding strength, and folding mechanism of a model chiral triazole catalyst is presented. Our combined experimental and computational study revealed that multi-interaction catalysts exhibiting weak binding energies (≈3-4 kcal mol^-1 ) can effectively recognize ionic substrates and induce chirality, while strong dependencies on the temperature and solvent were qu

SUBMITTER: Piekarski DG 

PROVIDER: S-EPMC7839480 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature