Gas Phase Studies of Organic Reaction Mechanisms

化学部的化学结构，动力学和机制计划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。 使用离子阱质谱仪与可变温度的能力，基本过程，如SN2和E2反应之间的竞争，以及手性识别进行检查。 此外，合成重要的有机金属物种，包括铜和金卡宾的机制和反应性正在研究中。第三，芳基卤化物与亲核试剂的反应性正在探索中。 初步工作表明，几种途径之间的竞争，包括一个不寻常的SN2反应的卤素中心。 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，并获得机械信息，这是不容易从实验中使用传统技术。 从这项研究中获得的信息对于开发新材料合成或有害材料修复中更有效的化学工艺非常有价值。 该补助金还侧重于培养新的科学家，旨在为本科生和研究生提供许多研究机会。 作为推广计划的一部分，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盟大学）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.