Direct involvement of the acetato ligand in the reductive elimination step of rhodium-catalyzed methanol carbonylation |
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| Authors: | Lassauque Nicolas Davin Thomas Nguyen Duc Hanh Adcock Romain J Coppel Yannick Le Berre Carole Serp Philippe Maron Laurent Kalck Philippe |
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| Institution: | Laboratoire de Chimie de Coordination (LCC), UPR CNRS 8241, ENSIACET, Université de Toulouse, UPS-INP-LCC, 4 allée Emile Monso, BP 44362, 31030 Toulouse Cedex 4, France. |
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| Abstract: | 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(-) by an AcO(-) ligand on the RhI(3)(COCH(3))(CO)(2)](-) species followed by reductive elimination of acetic anhydride, which immediately reacts with water to afford acetic acid. |
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