Thermodynamic Studies of Cooperative Effects in Metal Complexes

无机，生物无机和有机化学计划的这一奖项支持科罗拉多大学化学和生物化学系的玛丽·杜波依斯和国家可再生能源实验室的丹尼尔·杜波依斯的研究。该项目计划探索与分子氢反应的协同效应，并确定金属中心质子和氢化物供体/受体位点的定量热力学数据。该热力学数据将用于设计用于氢氧化/质子还原和用于醇氧化/醛还原的新的电催化剂。这些电催化剂在新的经济型燃料电池中具有潜在的应用前景，而分子氢的活化是许多工业催化过程的关键。本计画所得的热力学数据将有助于下一代催化剂的设计。该项目还延续了科罗拉多大学和NREL之间的密切合作，为学生提供了独特的视角，并允许获得研究技术和设备。

This award by the Inorganic, Bioinorganic and Organometallic Chemistry program supports research by Mary Rakowski-DuBois, Department of Chemistry and Biochemistry, University of Colorado and Daniel DuBois, National Renewable Energy Laboratory. The project plans to explore cooperative effects in reactions with molecular hydrogen and determine quantitative thermodynamic data for metal-centered proton and hydride donor/acceptor sites. This thermodynamic data will be used to design new electrocatalysts for hydrogen oxidation/proton reduction and for alcohol oxidation/aldehyde reduction. These electrocatalysts have potential application in new economical fuel cells.The activation of molecular hydrogen is key to many industrial catalytic processes. The thermodynamic data from this project will be useful to the design of the next generation of catalysts. This project also continues a strong collaboration between the University of Colorado and NREL, providing a unique perspective for students and allowing access to research techniques and equipment.