A computational study of the mechanism of the [(salen)Cr + DMAP]-catalyzed formation of cyclic carbonates from CO2 and epoxide.
Epoxide and CO2 coupling reactions catalyzed by (salen)Cr(III)Cl have been modeled computationally to contrast a monometallic vs. a bimetallic mechanism. A low-energy CO2 insertion step into the metal-alkoxide bond was located.
Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA. stn@northwestern.edu.
Debashis
D
Adhikari
SonBinh T
ST
Nguyen
Mu-Hyun
MH
Baik