Molecular Relaxation and Radiative Processes

分子弛豫和辐射过程

• 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

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获得了理论和计算化学项目的资助，继续他在分子弛豫和辐射过程方面的研究。他将继续发展在耦合局域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的理论方法。多脉冲核磁共振技术的可见和红外类似物为复杂分子组合的结构、动力学、相互作用和弛豫过程提供了新的快照探针。将发展涉及分子对形状和定时辐射脉冲序列响应的基本理论概念。模拟非线性响应函数的半经典方法将进行测试。将开发光谱的经典振荡器描述，为设计新的脉冲序列奠定基础，实现与核磁共振类似物相同的目标，并为计算和解释多维信号提供框架。脉冲激光技术的出现与非线性光学技术的使用相结合，导致了大量的新方法来探测气相和凝聚相分子体系。Mukamel正在开发理论技术，这些技术对于解释从这些实验中获得的数据至关重要。这些解释导致了许多关于化学反应和凝聚相系统中溶剂化效应的重要见解，这些见解可以应用于理解生物系统。