title: Direct Synthesis of Dimethyl Carbonate from Carbon Dioxide and Methanol at Room Temperature Using Imidazolium Hydrogen Carbonate Ionic Liquid as a Recyclable Catalyst and Dehydrant.
abstract: The direct synthesis of dimethyl carbonate (DMC) from CO2and CH3OH was achieved at room temperature with 74 % CH3OH conversion in the presence of an imidazolium hydrogen carbonate ionic liquid ([CnCmIm][HCO3]). Experimental and theoretical results reveal that [CnCmIm][HCO3] can transform quickly into a CO2adduct, which serves as an effective catalyst and dehydrant. Its dehydration ability is reversible. The energy barrier of the rate-determining step for the DMC synthesis is only 21.7 kcal mol-1. The ionic liquid can be reused easily without a significant loss of its catalytic and dehydrating ability.
authors.affiliation: School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, P. R. China.
authors.forename: Tianxiang
authors.initials: T
authors.lastname: Zhao
authors.affiliation: School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, P. R. China.
authors.forename: Xingbang
authors.initials: X
authors.lastname: Hu
authors.affiliation: School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, P. R. China.
authors.forename: Dongsheng
authors.initials: D
authors.lastname: Wu
authors.affiliation: School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, P. R. China.
authors.forename: Rui
authors.initials: R
authors.lastname: Li
authors.affiliation: School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, P. R. China.
authors.forename: Guoqiang
authors.initials: G
authors.lastname: Yang
authors.affiliation: School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, P. R. China.
authors.forename: Youting
authors.initials: Y
authors.lastname: Wu
mesh_terms: D001639:Bicarbonates / Q000737:chemistry*; D002245:Carbon Dioxide / Q000737:chemistry*; D002384:Catalysis; D005561:Formates / Q000138:chemical synthesis*; D007093:Imidazoles; D052578:Ionic Liquids / Q000737:chemistry*; D000432:Methanol / Q000737:chemistry*; D059027:Recycling / Q000379:methods; D013696:Temperature; D013816:Thermodynamics
chemical_list: D001639:Bicarbonates; D005561:Formates; D007093:Imidazoles; D052578:Ionic Liquids; D002245:Carbon Dioxide; C023025:methyl carbonate; D000432:Methanol
keywords: carbon dioxide fixation; density functional calculations; homogeneous catalysis; ionic liquids; reaction mechanisms