Unimolecular Kinetics of Haloalkanes, Haloalcohols and Haloethers

位于阿什维尔的北卡罗来纳州大学的伯特·霍姆斯得到了实验物理化学计划的支持，获得了RUI奖，以研究化学活化的卤代烷烃、卤代醇和卤代醚在气相中的单分子分解反应。 本计画的主要目的是以实验方式确定化学活化化合物反应的单分子速率常数、反应机制及分支比。 此外，将对这三类化合物进行从头计算，这将提高对相关过渡态结构的理解。 整体结果有望阐明取代基效应和结构-反应性关系，并提高对这些化合物的单分子反应的基本理解。 阿什维尔大学的本科生将参加这些研究项目，以培养分析思维能力和解决问题的能力。 本科研究生的积极参与，预计将加强化学在霍姆斯的机构的科学教育环境。 在整个本科期间参与重要化学研究的学生获得了更广泛的挑战和科学努力所需的奉献精神，同时培养了实验室科学技能。 在这个项目中，本科生将有机会研究已经发现实际应用的麻醉剂，润滑剂和血液替代品的化合物。焚烧卤代烷烃往往是选择这些化学品的环境补救的方法，本研究还将提供相关信息，以了解这些过程。

Bert Holmes of the University of North Carolina at Asheville is supported by the Experimental Physical Chemistry Program in a RUI award to study the unimolecular decomposition reactions of chemically activated haloalkanes, haloalcohols, and haloethers in the gas phase. The primary project objective is to determine experimentally the unimolecular rate constants, reaction mechanisms, and branching ratios for reactions of chemically activated compounds. As well, ab initio calculations will be conducted for these three classes of compounds that will improve the understanding of the relevant transition state structures. The overall outcomes are expected to elucidate substituent effects and structure-reactivity relationships, and improve the fundamental understanding of the unimolecular reactions of these compounds. Undergraduate students at UNC Asheville will participate in these research projects to develop analytical thinking skills and problem-solving abilities. The active participation of undergraduate research students is expected to strengthen the science education environment in chemistry at Holmes' institution. Students who are involved in significant chemical research throughout the undergraduate years gain a broader scope of challenges and the dedication required for scientific efforts while developing skills in laboratory science. In this project, undergraduate students will have opportunities to study compounds that have found practical applications as anesthetics, lubricants, and blood substitutes. Incineration of haloalkanes is often the method selected for environmental remediation of these chemicals; the present study will also provide relevant information to understand these processes.