Computational Study of the Mechanism of the [(Salen)Cr + DMAP]-Catalyzed Formation of Cyclic Carbonates from CO2 to Epoxide

Chem. Commun., 2014, Accepted Manuscript
DOI: 10.1039/C3CC48769E, Communication

Mu-Hyun Baik, Debashis Adhikari, SonBinh Nguyen
Epoxide and CO2 coupling reaction catalyzed by (salen)CrIIICl has been modeled computationally to contrast a monometallic vs. bimetallic mechanism. A low-energy CO2 insertion step into the metal-alkoxide bond has also...
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