Pincer-Type Phosphorus Compounds With Boryl-Pendant And Application In Catalytic H2 Generation From Ammonia-Borane: A Theoretical Study

Abstract

Metal-free catalysts composed of heavy main group element(s) have been limited. Herein, a theoretical study unveils that pincer-type phosphorus compound bearing a boryl-pendant is good catalyst for H2 generation from ammonia borane through phosphorus-boryl (P−B) cooperation function. Pincer-type phosphorus compound without boryl-pendant is not active for this reaction, indicating the important role of the P−B cooperation function.