Optical and Microwave Absorption Spectroscopy of Metal containing Molecules

在这项由化学系化学结构、动力学和机制计划资助的奖项中，亚利桑那州立大学的Timothy C.Steimle教授和他的博士后研究员、研究生和本科生将研究含金属小分子的高分辨率光学和微波光谱。系统地研究了早期过渡金属基团(钪到铜)的金属一元和二氢化合物(MH、MH2)、一氟化物(MF)和氢氧化物(MOH)，特别是电偶极矩和磁偶极矩的测定，以及磁性超精细相互作用。这项研究将揭示含金属分子中化学键的本质，并允许评估计算方法的可靠性。含有金属的分子，如本研究中的二原子和三原子体系，代表了理解涉及金属的各种重要反应的模型，包括催化反应。第二项努力将集中在高原子序数的双原子金属卤化物和氧化物上，这是宇称非守恒研究的重点。宇称非守恒是一个涉及宇宙基本对称性的话题，在含有双原子分子的极性高原子序数金属中，这种效应得到了极大的增强。除了前述拟议研究的更广泛的科学应用到现代物理研究中令人兴奋的领域的前沿实验之外，施泰默教授维持着一个规模较小但种类繁多的研究小组，他与他们密切合作，培训现代仪器方法和复杂的量子力学。该团队受益于国内外的一系列合作，这为他的团队成员提供了跨越国际边界的宝贵跨学科经验。

In this award, funded by the Chemical Structure, Dynamics and Mechanisms Program of the Chemistry Division, Prof. Timothy C. Steimle of Arizona State University and his postdoctoral fellows, graduate, and undergraduate research students will study the high-resolution optical and microwave spectroscopy of metal-containing small molecules. A systematic study of metal mono- and dihydrides (MH, MH2), monofluorides (MF) and hydroxides (MOH) for the early transition metal group (scandium to copper) will be performed, with particular emphasis on the determination of electric and magnetic dipole moments, and magnetic hyperfine interactions. This study will reveal insights into the nature of chemical bonding in metal containing molecules, and allow for an assessment of the reliability of computational methodologies. Metal containing molecules such as the di- and tri-atomic systems targeted in this research represent model for understanding a variety of important reactions involving metals, including catalytic reactions. A second effort will focus on high atomic number diatomic metal halides and oxides which are the focus of parity non-conservation investigations. Parity non-conservation is a topic that concerns the fundamental symmetry properties of the universe and the effects are greatly enhanced in polar high atomic number metal containing diatomic molecules.In addition to the aforementioned broader scientific applications of the proposed research to cutting-edge experiments in exciting areas of modern physics research, Prof. Steimle maintains a small but diverse research group, with whom he works closely to train in modern instrumental methods and sophisticated quantum mechanics. The group benefits from a number of collaborations -- both foreign as well as domestic -- which provides his group members with valuable interdisciplinary experience that crosses international borders.