Molecular Relaxation and Radiative Processes

分子弛豫和辐射过程

基本信息

批准号：
0425614
负责人：
Shaul Mukamel
金额：
$ 29.61万
依托单位：
University of California-Irvine
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2003
资助国家：
美国
起止时间：
2003-09-01 至 2005-10-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=0425614&HistoricalAwards=false
关键词：
Molecular Relaxation Radiative Processes

项目摘要

Shaul Mukamel is supported by a grant from the Theoretical and Computational Chemistry Program to continue his research in molecular relaxation and radiative processes. He will continue his development of theoretical methods for the design and systematic interpretation of multidimensional femtosecond correlation spectroscopies in systems of coupled localized vibrational or electronic chromophores. Visible and infrared analogues of multiple-pulse NMR techniques provide novel snapshot probes into the structure as well as dynamics, interactions and relaxation processes of complex molecular assemblies. The fundamental theoretical concepts underlying techniques involving molecular responses to sequences of shaped and timed radiation pulses will be developed. Semiclassical methods for simulating nonlinear response functions will be tested. A classical-oscillator description of the spectroscopies will be developed, setting the stage for designing new pulse sequences that accomplish the same goals as their NMR analogues and providing a framework for computing and interpreting multidimensional signals.The advent of pulsed laser technology combined with the use of non-linear optical techniques has led to a large number of new methods to probe gas-phase and condensed-phase molecular systems. Mukamel is developing theoretical techniques that are central to the interpretation of the data obtained from these experiments. These interpretations lead to many important insights regarding chemical reactions and the effects of solvation in condensed phase systems that can have application to understanding biological systems.

Shaul Mukamel得到了理论和计算化学计划的赠款的支持，以继续他在分子松弛和辐射过程方面的研究。他将继续开发理论方法，用于对耦合局部振动或电子发色团系统中多维飞秒相关光谱的设计和系统解释。多脉冲NMR技术的可见和红外类似物为结构提供了新颖的快照探针，以及复杂分子组件的动力学，相互作用和弛豫过程。将开发涉及分子响应对形状和时机辐射脉冲序列的基本理论概念。将测试用于模拟非线性响应函数的半经典方法。 A classical-oscillator description of the spectroscopies will be developed, setting the stage for designing new pulse sequences that accomplish the same goals as their NMR analogues and providing a framework for computing and interpreting multidimensional signals.The advent of pulsed laser technology combined with the use of non-linear optical techniques has led to a large number of new methods to probe gas-phase and condensed-phase molecular systems. Mukamel正在开发理论技术，这是对从这些实验获得的数据解释的核心。这些解释导致有关化学反应的许多重要见解以及在凝结相系统中溶剂化的影响，可以应用于理解生物系统。