Mechanistic Research

Unveiling the Origin of Chemoselectivity of Bismacycles-Mediated C─H Arylation of Phenols: From Mechanism Concept to New Coupling Design

Ball's Bismuth versus Barton's Bismuth

A Mechanistic Study on Gold(I)-Catalyzed Cyclization of Propargylic Amide: Revealing the Impact of Expanded-Ring N-Heterocyclic Carbenes

The role of expanded ring NHC

Predominance of the Second Cycle in the Homogeneous Os-Catalyzed Dihydroxylation: Nature of Os(VI)→Os(VIII) Reoxidation and Unprecedented Roles for the Amine-N-Oxide

Revisiting an old reaction

Mechanistic Research

Exploring chemical reactions using computational methods.

Computation Revealed Mechanistic Complexity of Low-Valent Cobalt-Catalyzed Markovnikov Hydrosilylation

We ultilized DFT calculations to find out the true active catalyst in the in-situ reduced Co-catalyzed hydrosilylation reaction, and some possible methods to improve regioselectivity.