Molecular Catalysis for Carbon Dioxide Incorporation Into Glycerol

这个项目解决了二氧化碳与甘油反应生成碳酸酯的催化的基本问题。因此，两种废弃化学品被用作制造高价值产品的可再生原料。其前景是为开发具有良好发展前景和未来日益重要的二氧化碳中和反应提供一个切入点。重点介绍了分子催化剂的设计和催化反应器的优化，以促进甘油碳酸酯的反应和调节选择性。为实现这一目标，三个合作伙伴(国家研究中心、多特蒙德大学和里斯本新大学)将密切合作，分享其互补能力。新的跨国合作将受益于分子催化方面的紧密联系的方法：催化剂前合成和表征、高压催化反应、反应动力学、机理研究、反应器技术和流体相热力学。以二氧化碳反应为目标的甘油配体的配位化学以及与催化活性相关的相关机理研究尚未被探索。在这个项目中获得的知识将制定用于催化的金属与多元醇和二氧化碳的结合规则。金属-氧键是含氧原料转化的新的关键因素，就像金属-碳键决定了从烯烃原料生产低聚物和聚合物的C-C偶联的途径一样。在反应器技术和流体相热力学方面获得的技术诀窍将为催化过程的实施提供基本要求。

This project addresses fundamental issues in catalysis for carbon dioxide reactivity with glycerol to carbonic esters. Two waste chemicals are, therefore, involved as renewable feedstocks for making high-value products. The perspective is to get an entry for developing CO2-neutral reactions of promising development and increasing importance for the future. Emphasis is put on molecular catalyst design and catalytic reactor optimization to promote the reaction and tune selectivity for glyceric carbonates. To achieve this goal three partners (CNRS, Dortmund University and New University of Lisbon) will share their complementary competences in close collaboration. The new trans-national cooperation will benefit from tightly linked methodologies in molecular catalysis: precatalyst synthesis and characterization, high-pressure catalytic reaction, reaction kinetics, mechanistic studies, reactor technology, and fluid phase thermodynamics. Coordination chemistry of glycerol-based ligands targeting the reactivity with carbon dioxide and relevant mechanistic studies in correlation with catalytic activity have been unexplored. The knowledge acquired during this project will set the rules of metal binding to polyols and CO2 for catalysis. Metal-oxygen bonds are the new key players for oxygenated feedstock transformation, just as metal-carbon bonds dictate the pathways to C-C couplings to produce oligomers and polymers from olefin feedstock. The know-how acquired in reactor technologies and fluid phase thermodynamics will provide the basic requirements for the catalytic process to be performant.