Applications of Solid-State Deuterium NMR Spectroscopy to M-H, M-C-H, and M-H-C Bonds

该奖项由无机，生物无机和有机化学 化学计划将支持在该领域的研究 有机金属化学该项目预计将提供 化学键的基本信息 含氢有机金属的原子一起 化合物.此类化合物是用于制备聚烯烃的重要催化剂。 有机化合物的工业合成。 本项目将使用三个固态氘核磁共振 研究有机金属化合物成键的技术 涉及M-H，M-H-M，M-（二氢）， M-（亚甲基）-M，以及过渡金属活化的C-H 债券分子结构与电子结构的相关性 固态核磁共振谱的变化 通过分子轨道计算建立模型 配合物固体核磁共振技术之一ADLF 光谱学，将用于获取高分辨率， 固体氘核磁共振谱的吸附物种 表面。研究的目的是评估固态 氘核磁共振光谱作为一种基本的技术， 金属有机配合物及其表面吸附的研究 物种解决方案和表面的预期益处 化学包括确定金属氢的结构 键和活性碳上的电子电荷 网站.

This award from the Inorganic, Bioinorganic and Organometallic Chemistry Program will support research in the area of organometallic chemistry. The project is expected to provide fundamental information about the chemical bonds which hold together the atoms of hydrogen-containing organometallic compounds. Such compounds are important catalysts for the industrial synthesis of organic compounds. This project will use three solid-state deuterium NMR techniques to study bonding in organometallic compounds involving bonds of the types M-H, M-H-M, M-(dihydrogen), M-(methylene)-M, as well as transition metal activated C-H bonds. Correlations between molecular and electronic structures and variations in the solid-state NMR spectra will be established by molecular orbital calculations on model complexes. One of the solid-state NMR techniques, ADLF spectroscopy, will be used to acquire high-resolution, solid-state deuterium NMR spectra of adsorbed species on surfaces. The goal of the research is to evaluate solid-state deuterium NMR spectroscopy as a technique for fundamental studies of organometallic complexes and surface adsorbed species. The anticipated benefits to solution and surface chemistry include determining the structure of metal-hydrogen bonds and the electronic charge resident on reactive carbon sites.