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

本研究的重点是结合实验和 羰基反应性的计算研究。 变温 流动余辉（VT-FA）测量与高水平从头算耦合 计算将被用来探测各种反应性 羰基对亲核攻击。 此外，研究将 探索微溶剂化条件下这些反应中的溶剂效应 条件 作为教育活动的一个主要重点， 互联网作为本科教学的重要辅助手段 有机化学将得到发展。 与此学院早期发展 （职业生涯）奖，有机和高分子化学计划是 支持克里斯托弗·M博士的研究和教育活动。 俄亥俄州州立大学化学系的Hadad说。 哈达德教授将把他的研究工作集中在研究 羰基（C=O）反应性的基本要求， 评估离去基团的重要性， 羰基碳和溶剂（水）对这些反应的影响。 羰基在有机化学中也很重要 就像在生物系统中一样。 例如，它们是各种 酶在水性条件下起作用。 的教育重点 奖项集中在互联网在课程开发中的应用

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