M. A. E. El Taher

Unraveling the Catalytic Role of Metal- and Halide-Free Phosphonium Systems in CO2 Transformation

The cycloaddition of CO2 to epoxides to form cyclic carbonates represents an attractive route toward sustainable chemical transformations. Herein, the catalytic performance of a halide- and metal-free catalyst, tetramethylphosphonium acetate (TMPA), is investigated using density functional theory (DFT). Benchmark stu...