文摘
For the last step of rhodium-catalyzed methanol carbonylation, high-pressure NMR, and kinetic and experimental data supported by density functional theory calculations are consistent with substitution of I鈥?/sup> by an AcO鈥?/sup> ligand on the [RhI3(COCH3)(CO)2]鈭?/sup> species followed by reductive elimination of acetic anhydride, which immediately reacts with water to afford acetic acid.