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

该奖项来自无机、生物无机和有机金属化学项目，将支持有机金属化学领域的研究。该项目预计将提供有关将含氢有机金属化合物原子连接在一起的化学键的基本信息。这类化合物是有机化合物工业合成的重要催化剂。该项目将使用三种固态氘核磁共振技术来研究有机金属化合物中的键合，包括M- h、M- h -M、M-（二氢）、M-（亚甲基）-M以及过渡金属活化的C-H键。分子和电子结构之间的相关性以及固态核磁共振光谱的变化将通过模型配合物的分子轨道计算来建立。其中一种固态核磁共振技术，ADLF光谱，将用于获取表面吸附物质的高分辨率固态氘核磁共振光谱。该研究的目的是评估固态氘核磁共振光谱作为有机金属配合物和表面吸附物质的基础研究技术。对溶液和表面化学的预期好处包括确定金属-氢键的结构和驻留在活性碳位上的电子电荷。

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.