Ligand substitution dynamics of solvated iron pentacarbonyl measured by ultrafast x-ray absorption spectroscopy

在该奖项中，布朗大学的Christoph G.Rose-Petruck教授将在化学系实验物理化学计划的支持下，对溶液中铁的五酮基配体取代的动力学进行研究。这一动力学将主要利用基于桌面飞秒X射线源的超快X射线吸收光谱来研究。进一步的研究将使用FTIR光谱和密度泛函理论方法来构建溶剂化的五甲基铁的成键以及这种成键在光激发下如何变化的完整图景。这项研究的最终目标包括(1)更好地了解这种典型的饱和、空间不拥挤的金属羰基的配体动力学，(2)开发用于化学研究的超快X射线源。拟议的研究将对其开发新的化学体系光谱探针以及培训本科生、研究生和博士后研究人员使用这些新方法产生更广泛的影响。

In this award, supported by the Experimental Physical Chemistry Program of the Chemistry Division, Prof. Christoph G. Rose-Petruck of Brown University will conduct research studying the dynamics of ligand substitution of iron pentacarbonyl in solution. The dynamics will be primarily studied using ultrafast x-ray absorption spectroscopy based upon tabletop femtosecond x-ray sources. Additional studies will use FTIR spectroscopy and Density Functional theoretical methods to build a complete picture of the bonding in the solvated iron pentacarbonyl and how this changes upon photoexcitation. Ultimate goals of the research include (1) gaining a better understanding of the ligand dynamics in this prototypical saturated, sterically uncrowded metal carbonyl and (2) developing ultrafast x-ray sources for chemical research.The proposed research will have a broader impact in its development of new spectroscopic probes of chemical systems, as well as its training of undergraduate, graduate and postdoctoral researchers in using these new methods.