Case Study Transition-Metal Catalyzed Carbonylation of Methanol

7 Case Study Transition-Metal Catalyzed Carbonylation of Methanol 

Synopsis of Kinnunen and Laasonen (2001), Reaction Mechanism of the Reductive Elimination in the Catalytic Carbonylation of Methanol. A Density Functional Study . 

To that end, Kinnunen and Laasonen model the reductive elimination pathways from the anionic acetyltriiododicarbonyl rhodium and iridium anions, and from the acetyldiiodotri-carbonyl iridium neutral using the B3LYP functional in combination with an unpolarized 

---