Heavy Atom Isotope Effect Studies of Organic Reaction Mechanisms

在本项目（“有机物的重原子同位素效应研究 有机化学动力学程序中的反应机理 化学系的亚瑟弗莱教授在 阿肯色州大学化学系， 费耶特维尔，将研究动力学同位素效应，以 确定路径（机制）的细节， 分子反应。 本研究利用重原子同位素效应 研究确定各种机械细节， 加成和消除反应。 特定反应系统 碳-14同位素效应的测量和计算 是霍夫曼和科普消除反应， 取代的α-苯乙基化合物的溶剂分解， 溴化肉桂酸的分解，添加 芳烃磺酰氯与苯乙烯的加成反应， 二溴至1，2-二苯基乙烯，肉桂酸酯，和 苯基乙炔。 实验测量值与 理论上计算的同位素效应将用于 确定过渡状态结构的细节， 过渡状态，以及键合的时间变化， 化学反应。

In this project ("Heavy Atom Isotope Effect Studies of Organic Reaction Mechanisms") in the Organic Chemical Dynamics Program of the Chemistry Division, Professor Arthur Fry in the Chemistry Department at the University of Arkansas, Fayetteville, will study kinetic isotope effects in order to determine the details of the paths (mechanisms) by which molecules react. This research project utilizes heavy atom isotope effect studies in determining mechanistic details for a variety of addition and elimination reactions. Specific reaction systems on which carbon-14 isotope effect measurements and calculations are being made are the Hofmann and Cope Elimination reactions, the solvolysis of substituted alpha-phenylethyl compounds, the decomposition of brominated cinnamic acids, the addition of arenesulfenyl chlorides to phenylethenes, and the addition of dibromine to 1,2-diphenylethenes, cinnamic acid esters, and phenylethynes. Correlation of experimentally measured and theoretically calculated isotope effects will be used to determine details of transition state structure, motion through the transition state, and the timing of bonding changes in chemical reactions.