Abstract
The surface interactions in [H-Pyr]+[HSO4]-/γ-Al2O3 system (prepared by wetness impregnation method) are investigated theoretically and experimentally. For that purpose, atoms in molecules theory, natural bond orbital and natural charge population analyses in a combination with a vibrational spectroscopy (FT-IR) are used. It is established that a bond formation between the hydrogen sulfate anion and the alumina influences the IL-support interaction in a great extent. However, a support-cation and a cation-anion interaction in the immobilized [H-Pyr]+[HSO4]- present as well. A comparative analysis between the experimental and the calculated vibrational modes is carried out and a significant number of infrared bands are assigned. The results indicate a good correlation between the experimental and the theoretical IR frequencies. It is found that the aforementioned interactions affected the vibrational frequencies in the supported IL.
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