ICD in liquid water and in aqueous solution

本项目致力于水溶液中ICD的检测和表征。为此，我们将使用由同步辐射激发的液体微射流的电子能谱，这是一项在该小组中首创的技术。来自液体样品的第一个结果表明，在液体环境中确实发生了到离域两个空穴状态的直接转变，并且可以非常有效。与本研究单位内的一些其他项目不同，在液体和溶剂中，导致ICD的非局部衰变幅度已在真实核心能级的高能衰变中得到解决。内价ICD在液体中尚未得到证实。示范后者是该项目的另一个目标，将与Hergenhahn小组合作进行。我们的工作计划是建立ICD光谱形状对溶剂结构的依赖关系，这是我们认为这一过程的重要未来应用。这项工作将与德鲁集团的理论家密切合作完成。

This project is focussed on the detection and characterization of ICD in aqueous solution. To this end we will use electron spectroscopy of a liquid microjet excited by synchrotron radiation, a technique which has been pioneered within this group. First results from liquid samples are indicating that direct transitions into delocalized two-hole states do take place in a liquid environment, and can be very effective. Unlike in some other projects within this Research Unit, in liquids and solvents the non-local decay amplitudes responsible for ICD have been addressed in the high-energetic decay of true core levels. Inner valence ICD is yet unproven in liquids. Demonstration of the latter is another goal of this project, and will be carried out in collaboration with the Hergenhahn group. Our work is planned to establish the dependence of ICD spectral shapes on solvent structure, which we see as an important future application of this process. This work will be done in close cooperation with theoreticians of the Dreuw group.