Probing the Metal-Carbon Bond: High Resolution Spectroscopy of Grignard Reagents and 3d Metal Carbon Clusters

在这个由化学结构、动力学和机制计划资助的项目中，亚利桑那大学的Lucy M.Ziurys教授正在探索含有金属-碳键的小型新型化合物的化学结构和行为。特别令人感兴趣的是所谓的过渡金属元素，如铁(Fe)、铜(Cu)、钴(Co)和钛(Ti)。了解金属元素如何与碳相互作用和结合，对于许多其他化学和技术领域的进步至关重要，包括有机和无机化学合成、催化、材料科学、生物化学，甚至天体化学。使用微波光谱学技术，Ziurys教授正在研究这些模型分子中原子和电子的排列。然后获得的信息为更大、更复杂的分子和发展理论预测提供了重要的见解。这项研究涉及一个由实验者和理论家组成的合作团队，重点放在研究生和本科教育上。Ziurys教授正在使用高分辨率的气相旋转光谱技术研究含金属分子的几何和电子性质。正在研究的新物种是与金属羧基和面内金属富勒烯相关的小的金属碳簇，以及经典的格氏试剂。它们是通过气相合成方法生产的，使用Broida烤箱、有机金属前体和激光烧蚀。此外，一台新的光谱仪正在建造中，以促进这些研究。已经建立了一个计划，让来自其他非博士授予机构的本科生参与这一研究项目。这项工作的更广泛影响包括开发适用于分析化学的毫米/亚毫米实验方法和检测化学混合物中的痕量物种。此外，这项研究还为学生提供与金属相关的精密测量和实验技术、理论和合成方面的培训，所有这些都是与化学、催化、采矿、医疗和半导体行业相关的技能组合。

In this project funded by the Chemical Structures, Dynamics, and Mechanisms-A Program, Professor Lucy M. Ziurys of the University of Arizona is exploring the chemical structure and behavior of small, novel compounds that contain metal-carbon bonds. Of particular interest are the so-called transition metal elements like iron (Fe), copper (Cu), cobalt (Co) and titanium (Ti). Understanding how metal elements interact and bond with carbon is pivotal to the advance of many other areas of chemistry and technology, including organic and inorganic chemical synthesis, catalysis, materials science, biochemistry, and even astrochemistry. Using a microwave spectroscopy technique, Prof. Ziurys is studying the arrangement of atoms and electrons in these model molecules. The information obtained then provides important insights into larger, more complex molecules and in developing theoretical predictions. The research involves a collaborative team of experimentalists and theorists, with an emphasis on both graduate and undergraduate education. Professor Ziurys is studying the geometric and electronic properties of metal-bearing molecules using high-resolution, gas-phase rotational spectroscopy techniques. The novel species being studied are small, metal carbon clusters related to metallocarbohedrenes and endohedral metallofullerenes, and classic Grignard-type reagents. They are produced by gas-phase synthetic methods utilizing Broida ovens, organometallic precursors, and laser ablation. In addition, a new spectrometer is being built to further these studies. A program has been established for undergraduate students from other, non-PhD granting institutions to participate in this research project. The broader impacts of this work include the development of millimeter/sub-millimeter experimental methodologies that are applicable to analytical chemistry and the detection of trace species in chemical mixtures. Additionally, this research is providing student training in precision measurements and experimental techniques, theory, and synthesis involving metals, all of which are skill sets relevant to the chemical, catalysis, mining, medical, and semiconductor industries.