Heavy Atom Isotope Effect Studies of Organic Reaction Mechanisms

在化学学部有机化学动力学项目（“有机反应机制的重原子同位素效应研究”）中，费耶特维尔阿肯色大学化学系的Arthur Fry教授，将研究动力学同位素效应，以确定分子反应的路径（机制）的细节。本研究项目利用重原子同位素效应研究来确定各种加成和消去反应的机理细节。碳-14同位素效应测量和计算的具体反应体系是Hofmann和Cope消去反应，取代-苯乙基化合物的溶剂溶解，溴化肉桂酸的分解，苯乙烯的芳烃酰氯加成，1,2-二苯乙烯的二溴加成，肉桂酸酯，和 phenylethynes。实验测量和理论计算的同位素效应的相关性将用于确定过渡态结构的细节，通过过渡态的运动，以及化学反应中键变化的时间。

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.