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Hindi Journal of Chemistry and Applied Chemical EngineeringISSN : 2576-3954
Yoon Kook Park Author
Subjects of specialization
Affiliation
Chemistry, Thermo Dynamics, Thermal decomposition, Mechanistic aspects, Combustion
Department of Biological and Chemical Engineering, Hongik University, Sejong, South Korea.
Biography
Yoon Kook Park; Department of Biological and Chemical Engineering, Hongik University, Sejong, South Korea. One of his references is, "Beckman EJ (2004) Supercritical and near-critical CO2 in green chemical synthesis and processing. J Supercritical Fluids 28: 121-191."
Publications
Research Article Open Access
Theoretical Exploration of the Role of CO2 in an Imidazolium Cation-Based Ionic Liquid
Author(s): Yoon Kook Park
Optimized structures of imidazolium cation-based ionic liquids (ILs) and CO2 were obtained using the Gaussian 09 software package and density functional theory (B3LYP/6-31+G(d,p)) with dispersion correction. The interaction energy between cation and anion for imidazolium cation-based ILs, as well as that between ILs and CO2 , were estimated to investigate specific interactions. The presence of CO2 highly impacts the formation of the optimized geometry of imidazolium-based IL. The wavenumber of the C2-H stretching frequency in the imidazolium cation was calculated. The shift of the C2-H stretching wavenumber verified the strong interaction of CO2 with imidazolium and halogen based ILs.
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