SusChEM: Design and Mechanistic Studies of Organic Silanols for Homogeneous Catalysis

在这个由化学系化学催化计划资助的项目中，加州大学戴维斯分校化学系的Annaliese Franz教授正在开发用于合成有机材料和聚合物的新型可持续硅基催化剂。硅基催化剂的发展非常重要，因为无金属催化剂往往无毒、稳定，并最大限度地减少试剂和有机溶剂的使用。由Franz教授开发的推广活动使小学和中学的女孩有机会参加动手活动，并了解催化剂、能源和聚合物。这项工作的更广泛影响包括从毒性较低、富含稀土的材料中发现新的催化剂和从天然原料中发现可生物降解的聚合物的潜在社会效益，以及为促进女孩和年轻妇女的科学而开展的学生培训和外联活动。该项目的重点是合成具有硅醇活化基团的新型硅基催化剂，并将这些催化剂应用于有机转化，包括可生物降解材料的聚合反应。用计算方法、X-射线结晶学和质谱学研究了各种催化剂的结构、结合作用和机理。这些信息将被用来加强有机硅醇活化的机理研究，以及其他类型的无金属催化剂。这项研究正在加深对氢键和阴离子结合的基础认识，并加强这些催化剂的应用。

ABSTRACTIn this project funded by the Chemical Catalysis program of the Chemistry Division, Professor Annaliese Franz in the Department of Chemistry at the University of California-Davis is developing new sustainable silicon-based catalysts for the synthesis of organic materials and polymers. The development of silicon-based catalysts is important because metal-free catalysts tend to be non-toxic, stable, and minimize the use of reagents and organic solvents. Outreach activities developed by Professor Franz are allowing girls in elementary and middle school the opportunity to participate in hands-on activities and learn about catalysts, energy, and polymers. The broader impacts of this work include potential societal benefits from the discovery of new catalysts from less toxic, earth abundant materials and biodegradable polymers from natural feedstocks as well as student training and outreach activities to promote science for girls and young women.This project focuses on the synthesis of new silicon-based catalysts with silanol activating groups and the application of these catalysts to organic transformations, including polymerization reactions for biodegradable materials. The structure, binding interactions and mechanism of various catalysts are being studied using computational methods, X-ray crystallography, and mass spectrometry. This information will be used to enhance mechanistic studies for organic silanol activation, as well as other classes of metal-free catalysts. The research is improving the fundamental understanding of hydrogen-bonding and anion-binding and enhancing the application of these catalysts.