Journal
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
Volume 6, Issue 7, Pages 8130-8135Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acssuschemeng.8b02352
Keywords
Carbon dioxide chemistry; Computational chemistry; Formaldehyde; Ionic liquids; Reduction
Categories
Funding
- National Key Research and Development Program [2016YFA0602900]
- National Natural Science Foundation of China [21472103, 21672119, 21421062, 21577071]
- Natural Science Foundation of Tianjin [16JCZDJC39900]
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The acetate-based ionic liquids (ILs), e.g., [(Bu4N)-Bu-n]OAc, have been developed for challenging 4-electron reduction of CO2 with amines and hydrosilane to afford aminals. Notably, polymethylhydrosiloxane, a cheap byproduct of the silicone industry, also works well as a reductant. Furthermore, an alternative pathway is rationally proposed via thorough density functional theory (DFT) study. In addition, the ILs play a surprisingly significant role through decreasing activation free energy. More importantly, the essence of being kinetically favorable with 4-electron reduction and thermodynamically favorable with 6-electron reduction is unveiled by DFT study, which guides us to successfully get 6-electron reductive products of CO2, i.e., methylamine. This work represents upgrading usage of both carbon and silicon wastes to valuable chemicals via IL catalysis.
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