Green Energy & Environment · 2021 · 68 citations · 38 references
Natural SciencesChemical EngineeringChemistryCatalysisInorganic ChemistryOrganic ChemistryCatalyst DesignCatalytic MaterialsHeterocyclic ChemistryAtmospheric PressureCarbon DioxideCatalytic ActivityCatalytic Activity EnhancementCyclic Carbonate SynthesisIonic Liquid CatalysisIonic Liquid SynthesisIonic Liquids
Novel dual-ionic imidazolium salts are shown to display excellent catalytic activity for cycloaddition of carbon dioxide and epoxides under room temperature and atmospheric pressure (0.1 MPa) without any solvent and co-catalyst leading to 96.1% product yield. It can be reused five times to keep the product yield over 90%. These intriguing results are attributed to a new reaction mechanism, which is supported by theoretical calculations along with the measurements of 13C NMR spectrum and Fourier transform infrared spectroscopy (FT-IR). The excellent catalytic activity can be traced to a CO2-philic group along with an electrophilic hydrogen atom. Our work shows that incorporation of CO2-philic group is an feasible pathway to develop the new efficient ionic liquids.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations
Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
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