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

加州大学戴维斯分校化学系的Annaliese Franz教授在化学催化项目资助下，正在开发一种新的可持续硅基催化剂，用于合成有机材料和聚合物。硅基催化剂的发展是重要的，因为无金属催化剂往往是无毒的，稳定的，并尽量减少试剂和有机溶剂的使用。弗朗茨教授开发的外展活动让小学和中学的女孩有机会参与动手活动，学习催化剂、能源和聚合物。这项工作的广泛影响包括潜在的社会效益，从毒性更低、富含土壤的材料和天然原料中的可生物降解聚合物中发现新的催化剂，以及学生培训和推广活动，以促进女孩和年轻女性的科学。本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，包括生物可降解材料的聚合反应。利用计算方法、x射线晶体学和质谱法研究了各种催化剂的结构、结合相互作用和机理。这一信息将用于加强有机硅醇活化的机理研究，以及其他种类的无金属催化剂。该研究提高了对氢键和阴离子结合的基本认识，并促进了这些催化剂的应用。

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.