LEAPS-MPS: Mechanism of Iron-Catalyzed Olefin Metathesis

该奖项全部或部分根据2021年美国救援计划法案（公法117-2）资助。 在这个由数学和物理科学理事会资助并设在化学系的项目中，佛罗里达国际大学的Konstantin Bukhryakov教授和他的学生将研究铁络合物催化烯烃复分解的机理。烯烃复分解是工业中应用的化学反应，用于生产日常生活中使用的化学品，包括塑料，先进材料，家用化学品，农业化合物，药物等。该反应需要使用金属基催化剂。然而，目前使用的催化剂是基于非丰富的金属，这影响了产品的最终成本并引起了环境问题。本研究旨在开发基于铁这种丰富且可持续的金属的烯烃复分解催化剂，为现有方法提供更便宜且更绿色的替代品。反过来，这将使消费者更容易获得基本化学品，并减少人类对环境的影响。该项目为高中生、本科生和研究生提供了研究机会。拟议的研究计划侧重于开发定义明确的烯烃复分解铁催化剂。本计画将针对配位体对铁系触媒之触媒活性、选择性及稳定性之影响，进行全面系统之研究。这将有助于开发一种可靠的催化剂。动力学研究的引发，生产复分解，分解步骤将有助于确定最佳的催化条件。此外，关键活性中间体和分解产物的研究将扩大铁基烯烃复分解的范围。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

This award is funded in whole or in part under the American Rescue Plan Act of 2021 (Public Law 117-2). In this project, funded by the Mathematical and Physical Sciences Directorate and housed in the Chemistry Division, Professor Konstantin Bukhryakov and his students at the Florida International University will study the mechanism of olefin metathesis catalyzed by iron complexes. Olefin metathesis is the chemical reaction applied in industry to produce chemicals employed in daily life, including plastics, advanced materials, household chemicals, agricultural compounds, pharmaceuticals, and many others. The reaction requires the use of metal-based catalysts. However, the currently utilized catalysts are based on non-abundant metals, which affects the final cost of the products and raises environmental concerns. This research aims to develop catalysts for olefin metathesis based on iron, abundant and sustainable metal, to provide less expensive and greener alternatives for existing methods. This, in turn, will make essential chemicals more accessible to consumers and decrease the human environmental footprint. The project provides research opportunities for multiple high-school, undergraduate, and graduate students.The proposed research plan focuses on developing well-defined iron catalysts for olefin metathesis. The project will perform a comprehensive systematical study of the influence of ligands on the catalytic activity, selectivity, and stability of iron catalysts. It will allow the development of a reliable catalyst. Kinetic investigations of initiation, productive metathesis, decomposition steps will help identify the optimum catalytic conditions. In addition, studies of critical active intermediates and decomposition products will expand the scope of iron-based olefin metathesis.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.