Phys Chem Chem Phys 2021 Sep 15;23(35):19111-19119. Epub 2021 Sep 15.
School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, NMPA Key Laboratory for Research and Evaluation of Innovative Drug, Henan Normal University, Xinxiang, Henan, 453007, China.
In this perspective, we present computational progress in the reduction of carbonyl compounds using boron reducing agents, such as L·BH, HBcat, HBpin, and 9-BBN. For the catalytic reduction reactions, establishing a catalytic mechanism will provide an important theoretical basis for the improvement of a more efficient combination of reducing agents and catalysts. Current computational studies reveal that the mechanisms of reactions are different due to the various combinations of electrophilic boron reducing agents and catalysts (transition-metal catalyst, main group metal catalysts, and metal-free frustrated Lewis pair). Read More