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Siti Nurhanna Riduan, Prof. Jackie Y. Ying and Dr. Yugen Zhang Mechanistic Insights into the Reduction of Carbon Dioxide with Silanes over N-Heterocyclic Carbene Catalysts ChemCatChem 5

Version of Record online: 6 MAR 2013 | DOI: 10.1002/cctc.201200721

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Which silane reacts first? Experimental results and DFT calculations of the N-heterocyclic carbene catalyzed reduction of carbon dioxide to methanol with silanes indicated that the overall process involved a three-step cascade reaction with the first hydrosilylation as the rate-determining step (see picture). This mechanism explains the pathway to the methoxide end product and the high hydrogen transfer yield.

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