High Resolution Spectroscopy of Metal-Containing Species: Examining Metal-Ligand Interactions

在这个由化学学部实验物理化学项目支持的项目中，亚利桑那大学的Lucy M. Ziurys教授将使用高分辨率毫米波和亚毫米波旋转光谱学来研究气相中的小有机金属单体。待研究的分子包括尚未用任何光谱方法研究过的短寿命过渡金属烷基化合物、碱羰基化合物、甲基苯胺、碳化物和金属酰胺。获得这些含金属分子的纯旋转光谱将使这些化合物的许多性质得以确定，例如电子基态构型和关于金属配体键的信息，离子与共价键的程度，以及反转势垒的存在。所得数据将为角动量耦合理论的验证提供数据基础。在这项研究中获得的数据将为金属与各种不同类型的有机分子基团的键合提供信息。因此，这些结果可以为涉及金属表面催化反应的机制提供基本的见解，从而对化学品的制造和化学气相沉积产生影响。

In this project supported by the Experimental Physical Chemistry Program of the Chemistry Division, Prof. Lucy M. Ziurys of the University of Arizona will use high-resolutional millimeter- and submillimeter-wave rotational spectroscopy to study small organometallic monomeric species in the gas phase. Among the molecules to be investigated are short-lived transition metal alkyl compounds, alkali carbenes, methylidynes, carbides, and metal amides that have not been studied by any spectroscopic method. Obtaining the pure rotational spectra of these metal-bearing molecules will enable numerous properties of these compounds to be determined, such as the electronic ground-state configuration and information about the metal-ligand bonding, the degree of ionic versus covalent bonding, and the presence of inversion barriers. The data will provide a data base for testing theories of the coupling of angular momenta.The data obtained in this study will provide information on the bonding of metals to various different kinds of organic molecular groups. These results can therefore provide fundamental insight into the mechanisms involved in catalytic reactions on metal-containing surfaces and thus has an impact on manufacturing of chemicals and chemical vapor deposition.