Second-Row Substituents and Microsolvation Effects on Nucleophilic Reactivity at Carbonyl Groups

本研究的重点是羰基反应性的实验和计算研究的结合。变温流动余辉（VT-FA）测量加上高水平从头计算将用于探测各种羰基对亲核攻击的反应性。此外，本研究将探讨在微溶剂化条件下这些反应的溶剂效应。将网络作为本科有机化学教学的重要辅助手段，作为教学活动的重点。有了这个教师早期发展（职业）奖，有机和大分子化学项目支持俄亥俄州立大学化学系克里斯托弗·m·哈达德博士的研究和教育活动。哈达德教授将集中研究羰基（C=O）反应性的基本要求，以评估离去基的重要性、羰基碳的电子要求以及溶剂（水）对这些反应的影响。羰基在有机化学和生物系统中都是非常重要的。例如，在水条件下，它们是多种酶功能的核心。该奖项的教育重点是在课程开发中使用互联网

The focus of this research is a combination of experimental and computational studies of carbonyl reactivity. Variable temperature flowing afterglow (VT-FA) measurements coupled with high level ab initio calculations will be used to probe the reactivity of a variety of carbonyl groups towards nucleophilic attack. Furthermore, the study will explore solvent effects in these reactions under microsolvation conditions. As a major focus of the educational activities, the use of the internet as an important adjunct to the teaching of undergraduate organic chemistry will be developed. With this Faculty Early Development (CAREER) award, the Organic and Macromolecular Chemistry Program is supporting the research and educational activities of Dr. Christopher M. Hadad of the Department of Chemistry at Ohio State University. Professor Hadad will focus his research efforts on studying the fundamental requirements for reactivity at carbonyl (C=O) groups to assess the importance of the leaving group, the electronic requirement of the carbonyl carbon and the effect of solvent (water) on these reactions. Carbonyl groups are fundamentally important in organic chemistry as well as in biological systems. For example, they are central to a variety of enzyme functions under aqueous conditions. The educational focus of the award centers on the use of the internet in curriculum development