Chemical and Structural Consequences of H...H, H...X, X...X Interactions in Transition Metal Complexes

我们将努力纠正我们对过渡金属氢化物配合物认识上的种种不足。短（二氢）和长（经典氢化物）之间的H-H距离是否可能存在的问题将在实验中得到解决。这三种类型的氢化物的相对反应性将从去质子化、氢的损失和与末端氢的流动交换方面进行检验。将启动旨在稳定理论预测的三氢络合物的合成工作。将继续在配合物的配位范围内研究强X-H和X-X相互作用、流动机制和制备性研究。在化学学部无机、生物无机和有机金属项目的这个项目中，耶鲁大学的Robert H. Crabtree博士将继续研究过渡金属氢化物配合物。这些配合物很可能是催化氢化反应中重要的中间体。通过这些研究获得的知识可能会对催化和能量储存的重要领域产生影响。

Efforts will be made to correct various deficiencies in our knowledge of transition metal hydride complexes. The question of whether H-H distances intermediate between the short (dihydrogen) and long (classical hydrides) are possible will be addressed experimentally. Relative reactivities of the three types of hydrides will be examined with respect to deprotonation, loss of hydrogen, and fluxional exchange with terminal hydrogens. Synthetic efforts aimed at stabilizing the theoretically predicted trihydrogen complex will be initiated. Studies of strong X-H and X-X interactions within the coordination sphere of the complex, fluxionality mechanisms, and preparative studies will be continued. %%% In this project in the Inorganic, Bioinorganic, and Organometallic Program of the Chemistry Division, Dr. Robert H. Crabtree of Yale University will continue studies of transition metal hydride complexes. These complexes are very likely important intermediates in catalytic hydrogenation reactions. The knowledge gained through these studies may have implications in the important areas of catalysis and energy storage.