Molecular Relaxation and Radiative Processes

分子弛豫和辐射过程

• 批准号: 9218368
• 负责人: Shaul Mukamel
• 金额: $ 24.1万
• 依托单位: University of Rochester
• 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: 1993-03-01 至 1996-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9218368&HistoricalAwards=false
• 关键词: Molecular; Relaxation; Radiative; Processes

This investigation of intramolecular and solvation dynamics in ultrafast nonlinear spectroscopy is a part of the Theoretical and Computational Chemistry Program of the Division of Chemistry. The optical response of chromophores in polar and nonpolar liquids is being computationally simulated. Both benzene/argon and water clusters are being studied. Methods for calculating the cooperative radiative dynamics of confined excitons is being developed and applied to the excitonic response of rare-gas clusters. Superradiance and polariton effects on retarded intermolecular interactions in liquids and disordered solids are being treated in a consistent way. %%% Modern spectroscopic methods often reveal how molecules in liquids and solids interact with each other and with radiation. This information can be obtained with aid of theories and computational simulations of the types being developed in this program of studies and applied to systems such as clusters of water molecules.

超快非线性光谱中分子内和溶剂化动力学的研究是化学系理论和计算化学计划的一部分。对生色团在极性和非极性液体中的光学响应进行了计算模拟。苯/氩和水团簇都在研究中。计算受限激子协同辐射动力学的方法正在发展，并被应用于稀有气体团簇的激子响应。超辐射和极化效应对液体和无序固体中延迟的分子间相互作用的影响正在以一致的方式得到处理。现代光谱方法经常揭示液体和固体中的分子如何相互作用以及如何与辐射相互作用。这些信息可以通过理论和计算模拟来获得，这些理论和计算模拟是在这个研究计划中开发的，并应用于水分子簇等系统。