Synthesis, Characterization And Quantum Chemistry Calculation Of Novel Strong Acidic Functional Ionic Liquids

Ionic liquids, as a novel material, has been wildly used in machinery manufacturing, organic synthesis, chemical materials, analysis chemistry and energy fields as a result of their advantages, such as negligible vapor pressure, thermochemical and electrochemical stability properties and adjustable physic-chemical properties. The development of functionalized ionic liquids needs to know the structure of the ionic liquid, the effects of functional groups on structure and the effects of structure on properties, which is important to the future of ionic liquids and green chemistry.We designed and synthesized more than ten kinds of strong acidic ionic liquids based on piperazine and 4,4’-bipyridine. The structure of ionic liquids was simulated in the method of ab initio calculation. The catalytic performance was tested through different reactions. The details are given as follows:1. The preparation, characterization and quantum chemistry calculation of ionic liquids based on piperazineA series of bi-sulfonic acid functionalized ionic liquids based on piperazine were synthesized, which showed more acidic than traditional ionic liquids. The structure and properties were characterized through FT-IR, NMR and UV. The Microstructure was simulated by the method of ab initio calculation and the atomic position, bond length and hydrogen bond number were counted, which established the connection between properties and microstructure. Finally, ionic liquids were used in the reaction of (3-acetamido ketones, which obtained a satisfactory results from the catalytic efficiency and recycling.2. The preparation, characterization and quantum chemistry calculation of ionic liquids based on 4,4’-bipyridineBased on the study in the previous chapter, the ionic liquids based on piperazine showed more acidic than traditional ionic liquids, but they were not room-temperature ionic liquid. Therefore, we tried to to reduce the melting point of the ionic liquid by increasing the volume of the cation and 4,4’-bipyridine was selected as the substrate finally. The structure and properties of ionic liquids were characterized by the methods of the previous chapter. In the end, ionic liquids were used in the synthesis of naphthalene-condensed oxazinone derivatives, which obtained a satisfactory results from the catalytic efficiency and recycling.