Laser Spectroscopy of Gas Phase Metal Clusters

在这个由化学系实验物理化学计划资助的项目中，犹他州大学的Michael莫尔斯教授将通过电子光谱研究双原子过渡金属分子和多原子金属簇氧化物、氮化物和碳化物的化学键和电子结构。 这些方法包括共振双光子电离光谱、激光诱导荧光光谱和色散荧光光谱。 待研究的双原子分子包括Pd 2、VMo、NbMo、Re 2、Hf 2、Os 2、Ir 2、ScAu、TiAu、VAu、PtAu和AuSi。多原子金属簇的实例是三原子物质AlNAl、AlOAl、Al 2Cl、Si 2 O和AlSiO。 我们的目标是获得这些物种的详细结构信息，包括键长，键角，振动频率，离解能，基态和激发态的电子态对称性和自旋多重性，等光谱的重过渡金属原子的分子是具有挑战性的，由于同时存在的相对论和电子相关效应。 这些特征使得即使使用最现代的量子化学方法也很难研究此类分子。 这项研究有望提供准确的实验数据，作为发展适当的量子化学理论的基准。 研究生和本科生将参与这项研究。 因此，他们将获得知识和技能，为深造或进入科学/技术工作队伍做准备。

In this project, funded by the Experimental Physical Chemistry Program of the Chemistry Division, Prof. Michael Morse of the University of Utah will investigate the chemical bonding and electronic structures of diatomic transition metal molecules and polyatomic metal cluster oxides, nitrides, and carbides by means of electronic spectroscopy. The methods include resonant two-photon ionization spectroscopy, laser-induced fluorescence spectroscopy, and dispersed fluorescence spectroscopy. Diatomic molecules to be investigated include Pd2, VMo, NbMo, Re2, Hf2, Os2, Ir2, ScAu, TiAu, VAu, PtAu, and AuSi. Examples of polyatomic metal clusters are the triatomic species AlNAl, AlOAl, Al2Cl, Si2O, and AlSiO. The goal is to obtain detailed structural information about these species, including bond lengths, bond angles, vibrational frequencies, dissociation energies, ground and excited electronic state symmetries and spin multiplicities, etc. The spectroscopy of molecules with heavy transition metal atoms is challenging owing to the simultaneous presence of relativistic and electron correlation effects. These features make it very difficult to study such molecules even with the most modern quantum chemical methods. This research promises to provide accurate experimental data that will serve as benchmarks for the development of appropriate quantum chemical theories. Graduate and undergraduate students will participate in this research. They will thereby acquire knowledge and skills in preparation for advanced studies or entry into the scientific/technological workforce.