Collaborative Proposal: High Resolution Spectroscopic Studies of Ionic Metal-Ligand Bonds

化学结构、动力学和机制计划支持南伊利诺伊大学爱德华兹维尔的Leah O‘Brien教授和密苏里大学圣路易斯分校的James O’Brien教授的合作研究项目。他们研究双原子金属的光谱，其中包含也含有氮或卤素原子(例如氟或氯)的分子。这项工作使人们能够更深入地了解这些分子的化学键和电子结构。参与者使用光吸收和/或发射光谱方法在可见光和红外波长区域记录高分辨率光谱。该项目继续了一个主要是本科院校和一所主要研究型大学的教职员工和学生之间的机构间合作。它加强了两所大学的研究基础设施，并培养学生和教师在当代光谱学和仪器开发方面的技能。该项目还包括一个外展计划，允许有天赋的高中生参与研究。奥布莱恩团队使用腔内激光吸收光谱和高分辨率傅里叶变换检测(ILS-FTS)相结合。产生感兴趣的分子的等离子体放电技术使用工业中使用的射频(RF)和直流(DC)等离子体发生器。对光谱进行旋转分析以获得新的和/或改进的分子常数(例如，跃迁能、转动和振动常数以及角动量耦合常数)。这些常数被用来绘制分子的能级图和势能曲线，从而能够将这些小分子的实验结果与计算结果进行比较。这项工作加深了我们对金属-配体相互作用、金属-配体结合的周期性趋势的理解，并为金属催化的反应提供了洞察力。

The Chemical Structure, Dynamics, and Mechanisms program supports the collaborative research projects of Professor Leah O'Brien at Southern Illinois University Edwardsville and Professor James O'Brien at the University of Missouri, St. Louis. They investigate the spectroscopy of diatomic metal containing molecules that also contain nitrogen or halogen atoms (for example fluorine or chlorine). The work is enabling a deeper understanding of these molecules' chemical bonding and electronic structure. Participants record high resolution spectra in the visible and infrared wavelength region with light-absorption and/or emission spectroscopic methods. This project continues an inter-institutional collaboration of faculty and students at a primarily undergraduate institution and a major research university. It enhances the research infrastructure at both Universities, and develops students and faculty with skills in contemporary spectroscopy and instrument development. The project also contains an outreach program that allows talented high school students to participate in the research.The O'Brien groups use intracavity laser absorption spectroscopy combined with high resolution Fourier transform detection (ILS-FTS). The plasma discharge techniques to produce the molecules of interest employ radio frequency (RF) and direct current (DC) plasma generators as used in industry. The spectra are rotationally analyzed to obtain new and/or improved molecular constants (e.g., transition energy, rotational and vibrational constants, and angular momentum coupling constants). These constants are used to develop energy level diagrams and potential energy curves for molecules, which enable comparison of the experimental results with computational results for these small molecules. This work enhances our understanding of metal-ligand interactions, periodic trends in for metal-ligand binding, and provides insight on metal-catalyzed reactions.