Spectroscopy of Diatomic Transition Metals

犹他大学的Michael Morse得到了实验物理化学项目的支持，继续利用电子光谱研究双原子过渡金属分子的化学键和电子结构。所采用的方法包括共振双光子电离光谱、激光诱导和分散荧光光谱、共振双光子脉冲场电离零电子动能光电子能谱。在所有情况下，样品将由脉冲激光烧蚀适当的金属靶，然后超音速膨胀产生。扩展降低了与开d亚壳系相关的光谱的复杂性，有利于光谱的解释。研究将集中在过渡金属硅化物、同核和异核过渡金属双原子和双原子铂上。在后一种情况下，与从头算量子化学的详细比较将为化学键的相对论性理论提供重要的检验。这些研究将大大提高我们对过渡金属之间化学键的认识，并将为适用于过渡金属体系的理论方法的发展提供重要的检验。例如，尽管过渡金属硅化物在微电子器件、太阳能电池、红外探测器和保护涂层中广泛使用，但人们对过渡金属硅键知之甚少。

Michael Morse of the University of Utah is supported by the Experimental Physical Chemistry Program to continue his investigations on the chemical bonding and electronic structure of diatomic transition metal molecules using electronic spectroscopy. The methods to be employed include resonant two-photon ionization spectroscopy, laser-induced and dispersed fluorescence spectroscopies, and resonant two-photon pulsed field ionization zero electron kinetic energy photoelectron spectroscopy. In all cases, the sample will be generated by pulsed laser ablation of the appropriate metal target, followed by supersonic expansion. The expansion reduces the complexity of the spectra associated with the open d subshell systems, facilitating interpretation of the spectra. Research will focus on the transition metal silicides, homo- and heteronuclear transition metal diatomics, and on diatomic platinum. In the latter case, a detailed comparison to ab initio quantum chemistry will provide an important test for relativistic theories of chemical bonding. These studies will greatly enhance our understanding of the chemical bonding between transition metals and will provide important tests for the development of theoretical methods applicable to transition metal systems. For example, very little is known about the transition metal silicon bond, despite the wide use of transition metal silicides in microelectronic devices, solar cells, infrared detectors and as protective coatings.