Inner-Shell Electron Spectroscopy of Small Molecules

实验物理化学计划支持俄勒冈州立大学的T·达拉·托马斯继续研究小分子的内壳层光电子能谱。他将专注于碳1s电子的高分辨率光谱分析，使用劳伦斯伯克利实验室先进光源(ALS)的高分辨率电子能谱仪。最终目标是更好地理解电离能与反应性和其他化学性质之间的关系，制定指定基团电负性的程序，更好地了解有助于电负性的因素，并测试目前用于预测和理解电离能的理论。这些主题处于当前电子能谱研究的前沿，最近由于第三代同步辐射光源的可用而变得非常热门。虽然已经有许多分子系统在高亮度同步加速器上进行了研究，但之前发表的其他研究人员的几乎所有研究都是示范性研究。这些研究远远不止于此。X射线光谱学的美妙之处在于，它可以是原子特有的，甚至在术语的“化学位置”意义上也是如此。对于化学上重要的化合物，这需要在这些研究中使用的同步加速器源中具有极高的分辨率。光电子能谱和俄歇能谱是迄今为止工业中最重要和最广泛使用的表面分析技术，在这些领域的基础研究仍然至关重要。

The Experimental Physical Chemistry Program supports T. Darrah Thomas of Oregon State University in his continuing studies on inner-shell photoelectron spectroscopy of small molecules. He will focus on high-resolution spectroscopy of carbon 1s electrons, using the high-resolution electron spectrometer at the Advanced Light Source (ALS) at Lawrence Berkeley Lab. The ultimate goals are to develop a better understanding of the relationship between ionization energies and reactivity and other chemical properties, to develop procedures for assigning group electronegativities, to better understand the factors that contribute to electronegativity and to test current theories for predicting and understanding ionization energies. These topics are at the forefront of current research in electron spectroscopy and have recently become extremely topical because of the availability of third-generation synchrotron radiation sources. While there have been many molecular systems studied at high-brightness synchrotrons, almost all of the previously published studies of other investigators have been demonstration studies. These studies go far beyond that. The beauty of x-ray spectroscopy is that it can be atom-specific, even in the `chemical site` sense of the term. For chemically important compounds, this requires the extremely high resolution available in the synchrotron sources that will be exploited in these studies. Photoelectron spectroscopy and Auger spectroscopy are by far the most important and widely used techniques for surface analysis in industry and fundamental research in these areas remains vitally important.