Activation and Scission of Small Molecules using Three-Coordinate Metal Complexes

长期以来，化学家们一直赞赏氮气、氧气和二氧化碳等基本分子在温和的条件下在生物系统中轻松加工，这与现有的工业过程(如氮气固定)需要极端的温度和压力形成鲜明对比。我们的项目通过使用强大的计算方法来解决这种不平衡问题，设计了基于三配位金属络合物的高度可调的化学体系，这些络合物专门用于具有多个键的重要小分子的活化和断裂。

Chemists have long admired the ease with which such fundamental molecules as nitrogen, oxygen and carbon dioxide are processed in biological systems under mild conditions in contrast to existing industrial processes such as nitrogen 'fixation' which require drastic temperatures and pressures. Our project addresses this inbalance by using powerful computational methods to design highly-tuned chemical systems based on three-coordinate metal complexes which are specific for the activation and scission of important small molecules possessing multiple bonds.