Theoretical Study on the Rhodium-Catalyzed Electrochemical C–H Phosphorylation: Insights into the Effect of Electro-oxidation on the Reaction Mechanism

D Bai, M Li, RZ Liao - ACS Catalysis, 2023 - ACS Publications
The merging of transition-metal-catalyzed C–H bond activation with electro-oxidation has
evolved into an appealing protocol for oxidative C–H bond functionalization. Nevertheless …

Theoretical Exploration of Rh/Cu Cooperative Catalysis in C–H Allylation of Benzamide with 1, 3-Diene

LF Yao, L Zhang, DC Fang - Organometallics, 2024 - ACS Publications
Density functional theory has been employed to study the mechanism of the Rh/Cu
cooperative catalyzed C–H allylation of benzamide with 1, 3-diene. The plausible catalytic …

Mechanistic Study on CpRh (III)-Catalyzed [3+ 2] Annulation of Aniline Derivatives with Vinylsilanes: A DFT Study

N Kang, ZX Zhao, HX Zhang - The Journal of Organic Chemistry, 2023 - ACS Publications
The rhodium (III)-catalyzed reaction of aniline derivatives that contain a pyrimidine-directing
group with vinylsilanes results in the formation of C3-substituted indoline derivatives. The …