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，动力学和机制计划支持南伊利诺伊大学爱德华兹维尔的Leah奥布莱恩教授和圣路易斯密苏里州大学的James奥布莱恩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），该仪器将腔内激光吸收光谱与高分辨率傅里叶变换检测相结合，并将在9，500 - 25，000 cm-1区域内运行。 拟议的ILS-FTS仪器将利用FTS探测所能提高的分辨率和波长精度，从而能够在非常宽的光谱范围内获得双原子分子的高分辨率光谱。 ILS-FTS仪器将用于：㈠旋振电子研究，如PtCl，其中与目前使用传统方法相比，更接近旋转带头的谱线可以被解析并用于旋转分析; ㈡金属二聚体的旋振电子光谱，如Pt 2和Pd 2，其中分子的旋转常数太小，无法使用传统方法进行检查。 ILS-FTS配置可能能够进行亚多普勒兰姆-凹陷（饱和）光谱，允许检测具有超精细相互作用的分子和具有较小旋转常数的分子。 发射研究也可能与FTS，这将有助于寻找新的金属配体分子。 含金属的双原子自由基具有开壳层结构，能产生原子核、电子、振动和转动角动量之间的相互作用，这将有助于我们更深入地理解金属与配体之间的相互作用，并为金属催化反应的研究提供新的思路。 拟议的研究将促进教师和学生在主要本科院校和研究型大学的成功机构间合作的发展。 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，将允许有才华的高中生参与研究。

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.