Alkane Functionalization using Transition Metal-Boryl Complexes

这个无机、生物无机和有机金属化学项目的奖项支持耶鲁大学John F. Hartwig教授的研究。该项目旨在揭示金属-硼基和硼烷络合物的不寻常反应和基本化学原理。特别地，已经发现了一种方法，其中烷烃与硼烷试剂反应生成线性末端烷基硼酸酯。将对这一过程进行综合和机理研究。多氢化物和不稳定的烷烃配合物将用于烷烃的催化功能化。通过改变硼基配体上的取代基，评估了硼基配体的刘易斯酸度和西格玛碱度对烷烃化学的影响。有机硼烷是化学中用途最广泛的合成中间体之一，因为它们可以转化为各种功能化分子。它们在分子识别、酶抑制剂、化疗中的中子捕获剂和发射蓝光的材料中都很有用。该项目将开发通往这些物种的新途径，并探索它们的化学性质，以及它们诱导反应或通常不反应的碳氢键的能力。

This award in the Inorganic, Bioinorganic and Organometallic Chemistry program supports the research of Professor John F. Hartwig at Yale University. The project seeks to uncover unusual reactions and fundamental principles in the chemistry of metal-boryl and borane complexes. In particular, a process has been discovered in which an alkane reacts with a borane reagent to provide linear, terminal alkylboronate esters. Synthetic and mechanistic studies of this process will be pursued. Polyhydrides and labile alkane complexes will be used to develop catalytic functionalization of alkanes. By varying the substituents on the boryl ligand the effect of Lewis acidity and sigma basicity of the boryl ligand on the alkane chemistry will be assessed. Organoboranes are among the most versatile synthetic intermediates in chemistry because they can be converted to a variety of functionalized molecules. These are useful in molecular recognition, as enzyme inhibitors, as neutron capture agents for chemotherapy, and as materials that emit blue light. This project will develop new routes to these species and explore their chemical properties with respect to their ability to induce reactions or normally unreactive carbon-hydrogen bonds.