Coordinated Studies of the Reaction Dynamics for Isolated and Solvated Molecules

孤立分子和溶剂化分子反应动力学的协调研究

• 批准号: 0315961
• 负责人: Brooks Pate
• 金额: $ 40.56万
• 依托单位: University of Virginia Main Campus
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2003
• 资助国家: 美国
• 起止时间: 2003-08-01 至 2006-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0315961&HistoricalAwards=false
• 关键词: Coordinated; Studies; Reaction; Dynamics; Isolated

In this project, funded by the Experimental Physical Chemistry Program of the Chemistry Division, Prof. Brooks Pate of the University of Virginia will investigate the reaction dynamics of isolated molecules and the way that solvation changes this intrinsic behavior. A new experimental design for ultrafast vibrational spectroscopy will be developed. By combining state-of-the-art experimental techniques for gas and solution phase molecular spectroscopy, this work bridges two of the major fields of physical chemistry: intramolecular dynamics and solution chemistry. A major part of the project is to examine how the solvent affects intramolecular vibrational coherence imparted to the system by a laser pulse. These experiments will test the ability to manipulate the vibrational motion and structure of isolated molecules through infrared (IR) pulse sequences. With experiments conducted in solution it will be possible to determine whether the coherence required for quantum manipulation is preserved. A second goal of the project is the development of a new spectrometer for measuring reaction kinetics using dynamical rotational spectroscopy (DRS).The instrumental development parts of this project will broadly impact several areas of science and technology, such as applications in the field of combustion kinetics, new approaches to measuring the kinetics of molecular geometry change, and new tools to study the ability to manipulate molecular properties through control of the quantum dynamics. This work has potential applications in the fields of biophysical chemistry and nanoscience. Students who participate in this research will gain valuable experience in the design, construction and testing of new measurement equipment. The students will also receive strong training in the fundamental concepts of both time-domain and frequency-domain spectroscopy that will allow them to appreciate the relative strengths of these complementary techniques.

在这个由化学系实验物理化学计划资助的项目中，弗吉尼亚大学的布鲁克斯佩特教授将研究孤立分子的反应动力学以及溶剂化改变这种内在行为的方式。 一个新的实验设计超快振动光谱学将被开发。 通过结合最先进的气相和溶液相分子光谱实验技术，这项工作的桥梁物理化学的两个主要领域：分子内动力学和溶液化学。 该项目的主要部分是研究溶剂如何影响激光脉冲赋予系统的分子内振动相干性。 这些实验将测试通过红外脉冲序列操纵孤立分子的振动运动和结构的能力。 通过在溶液中进行的实验，将有可能确定量子操纵所需的相干性是否被保留。 该项目的第二个目标是开发一种新的光谱仪，用于使用动态旋转光谱（DRS）测量反应动力学。该项目的仪器开发部分将广泛影响几个科学和技术领域，例如燃烧动力学领域的应用，测量分子几何形状变化动力学的新方法，以及研究通过控制量子动力学来操纵分子性质的能力的新工具。 这项工作在生物物理化学和纳米科学领域具有潜在的应用价值。 参加这项研究的学生将在新测量设备的设计，建造和测试方面获得宝贵的经验。 学生还将接受时域和频域光谱学基本概念的强有力的培训，这将使他们能够欣赏这些互补技术的相对优势。