Methanol Carbonylation Catalyzed by the Anion of the Complex Dicarbonyldiiodorhodium(I). A Density Functional Study of the Catalytic Cycle

摘要

The potential energy profile of the full catalytic cycle of methanol carbonylation catalyzed by [Rh(CO)_2I_2]~- complex was explored computationally using a gradient-corrected density functional method.