Collaborative Research: RUI: Spectroscopy of Metal-Containing Diatomics and Electronic Field Shift Effects

合作研究：RUI：含金属双原子的光谱学和电子场转移效应

基本信息

批准号：
1955776
负责人：
Leah O'Brien
金额：
$ 19.86万
依托单位：
Southern Illinois University at Edwardsville
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2020
资助国家：
美国
起止时间：
2020-09-01 至 2024-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1955776&HistoricalAwards=false
关键词：
Collaborative Research RUI Spectroscopy Metal

项目摘要

This grant from the Chemical Structure, Dynamics, and Mechanisms-A program supports the collaborative research projects of Professor Leah O’Brien at Southern Illinois University Edwardsville and Professors James O’Brien and Jack Harms at the University of Missouri-St. Louis. They use high-resolution electronic spectroscopy to investigate small, metal-containing molecules. These studies help to explain the way that metal ions are modified when they form chemical bonds, providing valuable insight into the nature of larger metal-containing molecules that are difficult to study directly. Research participants acquire a wide range of skills through a combination of activities, including development of instrumentation, data collection using light-absorption and/or emission spectroscopic methods, and digital data analysis. 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 direct current (DC) and radio frequency (RF) pulsed 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, angular momentum coupling constants, mass-independent parameters for species with multiple isotopologues). These constants are used to develop energy level diagrams and potential energy curves for molecules and may even provide a glimpse of the metal nucleus through the electronic field-shift effect, which was recently characterized for platinum-containing molecules. These parameters enable comparison of the experimental results with on-going, high-level computational results from colleague Prof. Wenli Zou for these small molecules. This work enhances our understanding of metal-ligand interactions, periodic trends for metal-ligand binding, and provides insight on metal-catalyzed reactions.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

化学结构、动力学和机制 A 项目的这笔资助支持南伊利诺伊大学爱德华兹维尔分校的 Leah O'Brien 教授和密苏里大学圣路易斯分校的 James O'Brien 和 Jack Harms 教授的合作研究项目。利用高分辨率电子光谱来研究含金属的小分子，这些研究有助于解释金属离子在形成化学键时的修饰方式，为了解难以研究的较大含金属分子的性质提供了宝贵的见解。研究参与者通过一系列活动直接获得广泛的技能，包括仪器开发、使用光吸收和/或发射光谱方法收集数据以及数字数据分析。它增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。该项目还包含一个外展计划，允许有才华的高中生参与。奥布莱恩小组的研究使用腔内激光吸收光谱与高分辨率傅里叶变换检测 (ILS-FTS) 相结合，使用工业中使用的直流 (DC) 和射频 (RF) 脉冲直流等离子体发生器来产生感兴趣的分子。进行旋转分析以获得新的和/或改进的分子常数（例如，过渡能、旋转和振动常数、角动量耦合常数、具有多个同位素体的物种的质量无关参数）。这些常数用于绘制分子的能级图和势能曲线，甚至可以通过电子场位移效应来了解金属核，最近对含铂分子进行了表征。这些参数可以对实验进行比较。这项工作增强了我们对金属-配体相互作用、金属-配体结合的周期性趋势的理解，并提供了对金属催化反应的见解。本次获奖通过使用基金会的智力价值和更广泛的影响审查标准进行评估，NSF 的法定使命被认为值得支持。