Shaping micro- and macroscopic properties of ionic liquid-solute systems: multifunctional task-specific (solvent, catalyst, water scavenger) agents

在典型的缩合反应酯化反应中，开发了一种多功能的功能化离子液体，它可以同时作为溶剂、催化剂和除水剂。研究方法包括对几个同系离子液体的研究。除了动力学实验外，还进行了系统的量热以及物理化学研究（粘度、密度、电导率）与温度、溶质类型和浓度的函数关系。得到的综合数据进行了分析，使用基团贡献的方法来阐明的结构-性能关系的离子液体相对于它们的效果和性能在酯化反应。在一个迭代过程中，新一代的离子液体与优化的结构特征的合成，以验证基团贡献的方法所作的预测。耶拿大学和莱比锡大学以及弗赖堡的两个小组之间建立了跨学科网络，其中每个项目本身都为进一步了解离子液体结构与性质关系做出了重要贡献。然而，这四个研究小组将从化学工程师，物理学家和化学家网络中的合作伙伴的互补专业知识中受益。生成物理化学数据的新方法通过现有方法进行验证，并且从已知纯度的离子液体中获得的大量数据在网络内共享，从而使合作伙伴能够分析跨学科的结果：基础和理论以及技术和实验。

A multi-functional task-specific ionic liquid is developed to simultaneously act as a solvent, catalyst and water scavenger in a typical condensation reaction: the esterification. The research methodology includes the investigation of several homologous series of ionic liquids. Systematic calorimetric as well as physico-chemical studies (viscosity, density, electric conductivity) as functions of temperature and type and concentration of solute are performed in addition to kinetic experiments. The comprehensive data obtained is analyzed using a group contribution approach to elucidate the structure-property relationship of the ionic liquids with respect to their effects and performance in the esterification. In an iterative process, new generations of ionic liquids with optimized structural characteristics are synthesized to verify the predictions made by the group contribution approach. An interdisciplinary network between the universities of Jena and Leipzig and two groups in Freiburg is proposed in which each project in its own right contributes essentially to furthering the understanding of ionic liquid structure-property relationships. The four research groups will, however, mutually benefit from the complementary expertise of the partners in a network of chemical engineers, physicists, and chemists. New methods of generating physico-chemical data are validated with existing methodology, and the large set of data obtained from ionic liquids of known purity is shared within the network, thus enabling the partners to analyze the results from a cross-section of science: fundamental and theoretical as well as technological and experimental.