Exchange Coupling in Transition Metal Polyhydrides

在无机，生物无机和 有机化学博士。迈克尔·海尼基 耶鲁大学将继续他对一种新的 发现了一种过程，通过这种过程， 有机金属离子交换位置，而不打破 金属-氢键有机化合物构成了 工业催化剂的重要类别，这个项目是 希望有助于更好地了解 催化作用机制。 一个新的包含成对隧穿的量子力学过程 在某些实验中发现了质子在高温下的 过渡金属多氢化物配合物。这个过程导致 质子-质子耦合常数异常大， 这些配合物的核磁共振（NMR）谱。 这一新现象的范围将由 合成具有不同 过渡金属和各种配体， 氢气隧道掘进过程的详细机制将 使用非弹性中子散射，结构 通过中子衍射和NMR光谱测定， 特别强调氚NMR光谱学。

With the support of the Inorganic, Bioinorganic and Organometallic Chemistry Program Dr. D. Michael Heinekey of Yale University will continue his investigations of a newly discovered process by which pairs of hydrogen atoms in certain organometallic hydrides exchange positions without breaking the metal-hydrogen bonds. Organometallic hydrides constitute an important class of industrial catalysts, and this project is expected to help provide a better understanding of the mechanism of catalytic action. A new quantum mechanical process involving pairwise tunnelling of protons at high temperatures has been discovered in certain transition metal polyhydride complexes. This process leads to exceptionally large proton-proton coupling constants in the nuclear magnetic resonance (NMR) spectra of these complexes. The scope of this novel phenomenon will be defined by the synthesis of additional polyhydride complexes with different transition metals and a variety of ligands in addition to hydrogen. The detailed mechanism of the tunnelling process will be investigated using inelastic neutron scattering, structure determination by neutron diffraction, and NMR spectroscopy, with particular emphasis on tritium NMR spectroscopy.