COLLABORATIVE RESEARCH: High Resolution Absorption and Emission Spectroscopy of Diatomic Metal Halides, Nitrides and Dimers

在这个奖项中，化学结构、动力学和机制项目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教授的合作研究项目。他们和他们的学生将开发一种仪器（ILS-FTS），该仪器将集成腔内激光吸收光谱和高分辨率傅立叶变换检测，并将在9,500-25,000 cm-1区域工作。提出的ILS-FTS仪器将利用改进的分辨率和波长精度，使FTS检测成为可能，能够在非常宽的光谱范围内获取双原子分子的高分辨率光谱。ILS-FTS仪器将用于：(i)旋转振动电子研究，例如PtCl，与目前使用传统方法相比，可以在旋转分析中解析和利用更靠近旋转带头的线；（ii）金属二聚体（如Pt2和Pd2）的旋转振动电子谱，其中分子的旋转常数太小，无法用传统方法检测。ILS-FTS结构可能具有亚多普勒Lamb-dip（饱和）光谱，允许检测具有超精细相互作用和较小旋转常数的分子。发射研究也有可能与FTS，这将有助于寻找新的金属配体分子。所研究的含金属双原子自由基具有开壳结构的特点，这种结构会引起核、电子、振动和旋转角动量之间的一系列相互作用。这项工作将导致对金属-配体相互作用的更深层次的理解，并可能提供对金属催化反应的见解。拟议的研究将促进一所主要本科院校和一所研究型大学的教师和学生之间成功的机构间合作。拟议的工作将开辟新的研究领域，加强两所大学的研究基础设施，并将进一步培养具有当代光谱学和仪器开发技能的学生和教师。该项目还包括一个让有才华的高中生参与研究的外展计划。

In this award, the Chemical Structure, Dynamics, and Mechanisms Program supports the collaborative research projects of Professors Leah O'Brien, of Southern Illinois University Edwardsville, and James O'Brien, of the University of Missouri, St. Louis. They and their students will develop an instrument (ILS-FTS) that will integrate intracavity laser absorption spectroscopy with high resolution Fourier transform detection, and will operate in the 9,500-25,000 cm-1 region. The proposed ILS-FTS instrument will utilize the improved resolution and wavelength accuracy made possible with FTS detection, enabling the acquisition of high-resolution spectra of diatomic molecules over a very wide spectral range. The ILS-FTS instrument will be used in: (i) rovibrational electronic studies, such as for PtCl, where lines closer to rotational bandheads can be resolved and utilized in the rotational analysis than is possible currently using traditional methods; and (ii) rovibrational electronic spectra of metal dimers, such as Pt2 and Pd2, where the rotational constants for the molecules are too small to be examined using traditional approaches. The ILS-FTS configuration may be capable of sub-Doppler Lamb-dip (saturation) spectroscopy, allowing detection of molecules with hyperfine interactions and those with smaller rotational constants. Emission studies are also possible with the FTS, which will assist in the search for new metal-ligand molecules. The metal-containing diatomic radicals to be studied are characterized by open shell structures, which give rise to a host of interactions between nuclear, electronic, vibrational, and rotational angular momenta.The work will lead to deeper understanding of metal-ligand interactions and potentially provide insight on metal-catalyzed reactions. The proposed research will foster development of a successful inter-institutional collaboration of faculty and students at a primarily undergraduate institution and a research university. The proposed work will open new areas research, enhance the research infrastructure at both Universities, and will further develop students and faculty with skills in contemporary spectroscopy and instrument development. The project also contains an outreach program that will allow talented high school students to participate in the research.