Ultrafast Measurements on Theoretically Tractable Prototypesfor Polar Solution Chemistry

极性溶液化学理论上可处理原型的超快测量

• 批准号: 9304373
• 负责人: Paul Barbara
• 金额: $ 35.22万
• 依托单位: University of Minnesota-Twin Cities
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-06-01 至 1996-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9304373&HistoricalAwards=false
• 关键词: Ultrafast; Measurements; Theoretically; Tractable; Prototypesfor

Professor Paul Barbara is supported by a grant from the Throretical and Computational Chemistry Program to conduct experimental studies of ultrafast chemical dynamics in polar solvents. Four specific areas of research are planned: 1) an investigation of the vibrational relaxation in small radical anions in polar solvents; 2) the evolution of reactant electronic structure during a chemical reaction; 3) the dynamical coupling of proton and solvent motion in reacting systems; and 4) the role of quantum solvent nuclear degrees of freedom in charge-transfer reactions. %%% Since many commercially important chemical reactions take place in polar solvents such as water, it is important to understand the influence which such solvents have on the reaction dynamics. A number of effects, such as solvent cage effects, vibrational relaxation and quantum mechanical tunneling, which are not present in the gas phase completely dominate condensed phase chemical reactions. It is important to develop reliable theories for model chemical systems which can then be applied to improving the efficiency of commercially important chemical reactions. The work which is being performed by Barbara provides an important experimental basis for the development of such theories.

Paul Barbara 教授得到 Throretical and Computational Chemistry Program 的资助，用于在极性溶剂中进行超快化学动力学的实验研究。 计划开展四个具体研究领域：1）研究极性溶剂中小自由基阴离子的振动弛豫； 2）化学反应过程中反应物电子结构的演变； 3）反应体系中质子与溶剂运动的动力学耦合； 4）量子溶剂核自由度在电荷转移反应中的作用。 %%% 由于许多商业上重要的化学反应发生在极性溶剂（例如水）中，因此了解此类溶剂对反应动力学的影响非常重要。 许多在气相中不存在的效应，如溶剂笼效应、振动弛豫和量子力学隧道效应，完全主导了凝聚相化学反应。 为模型化学系统开发可靠的理论非常重要，然后可以将其应用于提高商业上重要的化学反应的效率。 芭芭拉正在进行的工作为此类理论的发展提供了重要的实验基础。