Coordinated Study of Isomerization Reactions in Isolated Molecules and Molecules in Solution

孤立分子和溶液中分子异构化反应的协调研究

• 批准号: 0078825
• 负责人: Brooks Pate
• 金额: $ 42.5万
• 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: 2000
• 资助国家: 美国
• 起止时间: 2000-08-01 至 2003-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0078825&HistoricalAwards=false
• 关键词: Coordinated; Study; Isomerization; Reactions; Isolated

Brooks Pate of the University of Virginia is supported by a grant from the Experimental Physical Chemistry Program to develop a new molecular beam spectrometer and to use it to study gas phase isomerization initiated by vibrational laser excitation. Isomerization rates will be determined using Fourier transform microwave spectroscopy. These data will be used to test dynamical theories. The studies will be augmented by studies of isomerization in solution using two-color, time-resolved vibrational spectroscopy and a comparison will be made to distinguish solvent effects. Isomerization will be studied for a series of systems with two and three (epoxides) conformational minima and for systems (terminal chloroalkynes and linear aldehydes) with multiple isomerization coordinates.Isomerization, the change in structure of an isolated molecule, greatly effects chemical reactivity, a feature that is exploited by long chain molecules and in biological systems. Isomerization is to be studied by advanced spectroscopic techniques in both the gas and solution phases to test theoretical models and to determine the influence of the solvent on the reactivity.

弗吉尼亚大学的布鲁克斯·佩特得到了实验物理化学计划的资助，用于开发一种新的分子束光谱仪，并用它来研究由振动激光激发引发的气相异构化。异构化速率将使用傅里叶变换微波光谱分析来确定。这些数据将被用来检验动力学理论。这些研究将通过使用双色时间分辨振动光谱对溶液中的异构化进行研究来加强，并将进行比较以区分溶剂效应。异构化是研究具有两个和三个(环氧化物)构象极小值的一系列体系以及具有多个异构化配位的体系(末端氯炔和直链醛)的异构化。异构化是孤立分子结构的变化，对化学反应活性有很大的影响，这是长链分子和生物体系中利用的一个特征。异构化反应将用先进的光谱技术在气相和溶液中进行研究，以验证理论模型并确定溶剂对反应活性的影响。