Unimolecular Kinetics of Haloalkanes, Haloalcohols and Haloethers

北卡罗来纳大学阿什维尔分校的伯特·霍姆斯（Bert Holmes）在实验物理化学项目的支持下获得了芮奖，他研究了化学活化的卤代烷、卤代醇和卤醚在气相中的单分子分解反应。项目的主要目标是通过实验确定化学活性化合物反应的单分子速率常数、反应机制和分支比。同时，将对这三类化合物进行从头计算，以提高对相关过渡态结构的理解。总体结果有望阐明取代基效应和结构-反应关系，并提高对这些化合物的单分子反应的基本认识。北卡罗来纳大学阿什维尔分校的本科生将参与这些研究项目，以培养分析思维技能和解决问题的能力。本科生的积极参与有望加强霍姆斯研究所化学科学教育的环境。在本科期间参与重要化学研究的学生在发展实验室科学技能的同时，获得了更广泛的挑战和科学努力所需的奉献精神。在这个项目中，本科生将有机会研究作为麻醉剂、润滑剂和血液代用品的实际应用的化合物。这些化学品的环境修复通常选择焚烧卤代烷的方法；本研究也将为了解这些过程提供相关信息。

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.