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

溶剂介导的质子转移和溶质-溶剂相互作用的动力学

• 批准号: 9122236
• 负责人: Mark Maroncelli
• 金额: $ 18.9万
• 依托单位: Pennsylvania State Univ University Park
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1992
• 资助国家: 美国
• 起止时间: 1992-03-15 至 1995-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9122236&HistoricalAwards=false
• 关键词: Solvent; Mediated; Proton; Transfer; Dynamics

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.

在这个实验物理化学项目中，由 Maroncelli教授（宾夕法尼亚州 大学）将测量激发态的皮秒动力学 质子转移反应及其醇催化作用 溶剂.将对数据进行机制分析 借助分子动力学模拟。结果将 详细了解溶剂几何形状在 协助这类重要的化学反应。 %%% 单个质子从一个地方跳到另一个地方的化学反应。 分子中的位置在自然界中广泛存在， 在生物化学和技术上的重要作用 流程.这些反应通常太快而无法研究 详细Maroncelli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。的 结果将是一个分子水平的理解之一， 最重要的化学反应。