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Article

Hydrogenation of CO2 Promoted by Silicon-Activated H2S: Origin and Implications

College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715, China
Academic Editors: Anan Yaghmur and Federico Totti
Molecules 2021, 26(1), 50; https://doi.org/10.3390/molecules26010050
Received: 3 November 2020 / Revised: 19 December 2020 / Accepted: 21 December 2020 / Published: 24 December 2020
(This article belongs to the Special Issue 25th Anniversary of Molecules—Recent Advances in Physical Chemistry)
Unlike the usual method of COx (x = 1, 2) hydrogenation using H2 directly, H2S and HSiSH (silicon-activated H2S) were selected as alternative hydrogen sources in this study for the COx hydrogenation reactions. Our results suggest that it is kinetically infeasible for hydrogen in the form of H2S to transfer to COx at low temperatures. However, when HSiSH is employed instead, the title reaction can be achieved. For this approach, the activation of CO2 is initiated by its interaction with the HSiSH molecule, a reactive species with both a hydridic Hδ− and protonic Hδ+. These active hydrogens are responsible for the successive C-end and O-end activations of CO2 and hence the final product (HCOOH). This finding represents a good example of an indirect hydrogen source used in CO2 hydrogenation through reactivity tuned by silicon incorporation, and thus the underlying mechanism will be valuable for the design of similar reactions. View Full-Text
Keywords: CO2 activation; quantum chemical calculation; reaction mechanisms; chemical bond CO2 activation; quantum chemical calculation; reaction mechanisms; chemical bond
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MDPI and ACS Style

Liu, X. Hydrogenation of CO2 Promoted by Silicon-Activated H2S: Origin and Implications. Molecules 2021, 26, 50. https://doi.org/10.3390/molecules26010050

AMA Style

Liu X. Hydrogenation of CO2 Promoted by Silicon-Activated H2S: Origin and Implications. Molecules. 2021; 26(1):50. https://doi.org/10.3390/molecules26010050

Chicago/Turabian Style

Liu, Xing. 2021. "Hydrogenation of CO2 Promoted by Silicon-Activated H2S: Origin and Implications" Molecules 26, no. 1: 50. https://doi.org/10.3390/molecules26010050

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