Metal-mediated dehalogenation reactions relevant to environmental remediation

该奖项支持明尼苏达大学克里斯托弗·麦克尼尔教授的工作，以及他的团队对与环境修复相关的金属介导的脱氯途径的研究。地下水受到过氯乙烯、三氯乙烯和其他氯化溶剂的污染是一个普遍存在的问题，威胁着我们的供水。金属介导的脱氯过程是许多最有前途的修复方法的核心，但对其机制细节知之甚少。这在很大程度上是由于环境应用中活性金属部位的异质性。该奖项支持的研究重点是通过研究氯化乙烯与定义明确的金属配合物的反应来填补我们知识上的空白，这些配合物模拟了环境利益系统。具体来说，铁和钯膦配合物将分别作为装载零价铁颗粒和贵金属加氢催化剂的可渗透反应屏障活性位点的模型进行研究。这些研究的结果将是对可能涉及这些现实世界系统的基本反应的更深入的理解。这项研究提高了我们对碳-氯活化反应的认识，这是广泛催化转化的核心。此外，该研究的特点是在这些过程的同位素分馏因子的测量方面进行国际合作，这将有助于弥合脱氯反应的现场测量与它们与潜在化学机制之间的鸿沟。该项目通过专注于提供清洁饮用水的技术，推进了国家科学基金会对可持续发展的承诺。该项目的特点是一个传播计划，将通过这项研究获得的知识传递给更广泛的修复从业人员。此外，通过参与的学生研究人员的支持，该项目进一步推动了国家科学基金会教育和培训下一代科学家的使命。

This award supports the work of Professor Kristopher McNeill at the University of Minnesota and research of his group on metal-mediated dechlorination pathways relevant to environmental remediation. Groundwater pollution by perchloroethylene, trichloroethylene, and other chlorinated solvents is a widespread problem that threatens our water supply. Metal-mediated dechlorination processes are at the center of many of the most promising remediation methods, but very little is known about their mechanistic details. This is in large part due to the heterogeneous nature of the reactive metal sites in environmental applications. The research supported by this award is focused on filling this gap in our knowledge by studying reactions of chlorinated ethylenes with well-defined metal complexes that model the systems of environmental interest. Specifically, iron and palladium phosphine complexes that act as models for the active sites in permeable reactive barriers loaded with zero-valent iron particles and noble metal hydrogenation catalysts, respectively, will be studied. The result of these studies will be a deeper understanding of fundamental reactions that are likely involved in these real-world systems. This research advances our knowledge of carbon-chlorine activation reactions, which are central to a wide range of catalytic transformations. Additionally, the research features an international collaboration on the measurement of isotope fractionation factors of these processes will help bridge the gulf between field measurements of dechlorination reactions and how they relate to their underlying chemical mechanisms. This project advances the commitment of NSF to sustainability through its focus on technologies for providing clean drinking water. The project features a dissemination plan that will transfer knowledge obtained through this research to the broader community of remediation practitioners. In addition, through the support of the student researchers involved, this project furthers the mission NSF to educate and train the next generation of scientists.