mechanistic insights into the carbon dioxidecyclohexene oxide copolymerization reaction is one metal center enough a detailed study on the mechanism for the alternating copolymerization of cyclohexene oxide cho and co2 mediated by an alaminotriphenolatenbu4 i binary catalyst system was performed by using dftbased methods four potential mechanisms one monometallic and three bimetallic were considered for the first propagation cycle of the choco2 copolymerization the obtained gibbs free energies provided a rationale for the relative high activity of a noncovalent dimeric structure formed in situ and thus for the feasibility of a bimetallic mechanism to obtain polycarbonates quantitatively gibbs free energies also indicated that the alternating copolymerization was favored over the cyclic carbonate formation