Solvent-Mediated Proton Transfer and the Dynamics of Solute - Solvent Interactions

在这个由化学系赞助的实验物理化学项目中，马龙塞利教授(宾夕法尼亚州立大学)将测量激发态质子转移反应的皮秒动力学及其在乙醇溶剂中的催化作用。将借助分子动力学模拟对数据进行机理分析。其结果将是对溶剂几何结构在辅助这类重要化学反应中的作用有详细的了解。分子中单个质子从一个地方跳到另一个地方的化学反应在自然界中广泛存在，并在生物化学和重要技术过程中发挥核心作用。这些反应通常太快，无法详细研究。马龙塞利教授(宾夕法尼亚州立大学)将使用新的超快光学光谱方法和强大的计算机模拟来解决这个问题。其结果将是对化学中最重要的反应之一的分子水平的理解。

In this Experimental Physical Chemistry project,sponsored by the Chemistry Division, Prof. Maroncelli (Pennsylvania State University) will measure picosecond kinetics of excited state proton transfer reactions and their catalysis by alcohol solvents. Mechanistic analysis of the data will be carried out with the aid of molecular dynamic simulations. The result will be a detailed understanding of the role of solvent geometry in assisting this important class of chemical reactions. %%% Chemical reactions in which a single proton hops from place to place in a molecule occur widely in nature, and play a central role in both biochemical and technologically important processes. These reactions are typically too fast to be studied in detail. Prof. Maroncelli (Pennsylvania State University) will address this problem using new, ultrafast optical spectroscopic methods and powerful computer simulations. The result will be a molecular level understanding of one of the most important reactions in chemistry.