Gas Phase Studies of Organic Reaction Mechanisms

化学部的化学结构、动力学和机理项目支持弗吉尼亚联邦大学的 Scott Gronert 教授研究气相有机反应过程。 使用具有可变温度功能的离子阱质谱仪，可以检查 SN2 和 E2 反应之间的竞争以及手性识别等基本过程。 此外，合成上重要的有机金属物质（包括铜和金卡宾）的机理和反应性也正在研究中。第三，正在探索芳基卤化物与亲核试剂的反应性。 初步工作表明几种途径之间存在竞争，包括卤素中心上不寻常的 SN2 反应。 这项工作的基本原理是，气相研究允许人们探测特定的、孤立的中间体的键合特性，并获得使用传统技术的实验不易获得的机械信息。 从这项研究中获得的信息对于开发更有效的新材料合成或有害材料修复化学工艺非常有价值。 该赠款还侧重于培养新科学家，旨在为本科生和研究生提供许多研究机会。 作为外展计划的一部分，来自当地历史悠久的黑人大学（弗吉尼亚州立大学和弗吉尼亚联合大学）的学生被招募参加夏季研究。

The Chemical Structure, Dynamics and Mechanisms Program in the Chemistry Division supports Professor Scott Gronert of Virginia Commonwealth University for the study of organic reaction processes in the gas phase. Using an ion trap mass spectrometer with variable temperature capabilities, fundamental processes such as the competition between SN2 and E2 reactions as well chiral recognition are examined. Also, the mechanisms and reactivity of synthetically important organometallic species, including copper and gold carbenes, are being investigated. Third, the reactivity of aryl halides with nucleophiles is being explored. Preliminary work indicates competition between several pathways including an unusual SN2 reaction on a halogen center. The rationale for this work is that gas-phase studies allow one to probe the bonding characteristics of specific, isolated intermediates and gain mechanistic information that is not readily available from experiments using conventional techniques. The information gained from this research can be very valuable in the development of more effective chemical processes in the synthesis of new materials or the remediation of hazardous materials. The grant also focuses on developing new scientists and is designed to offer many research opportunities for undergraduate and graduate students. As a part of an outreach program, students from local historically black universities (Virginia State and Virginia Union) are recruited to participate in summer research.