Detection, Structural Characterization, and Chemistry of Reactive Oxygen Species

在这个由化学部化学结构，动力学和机制项目资助的项目中，Carl Gottlieb博士和Michael McCarthy博士将分离和鉴定在地球上普遍存在的化学反应中起关键作用的含氧物质，这些反应发生在大气和碳氢化合物燃烧中。为了应对这一挑战，将开发新的诊断工具，以同时快速分析含有多种化合物的气体混合物。这项工作将使化学模型具有更大的预测能力，为我们的大气和燃烧。该项目还将导致改进分析气体取样技术，这对人类健康具有实际意义，该项目侧重于描述在涉及氧气、臭氧和OH自由基的许多反应中产生的难以捉摸的活性中间体。这些研究将通过使用灵敏的高分辨率旋转光谱来确定关键中间体的存在，并提供对其形成和分子结构的见解。与国内外领先的实验和理论小组的协同合作将增强许多拟议的调查。技术创新是这项工作的一个组成部分，将努力开发自动化的“无库”方法来识别全新的化合物。具有潜在社会效益的活动包括与合作伙伴开展广泛的教育和推广计划，包括在三个新英格兰场地举办互动式巡回展览;向学生介绍科学、工程和数学方面的新经验;以及学生访问计划。这些计划将触及公众和代表性不足的群体，并作为教学，培训和学习的优秀工具。

In this project funded by the Chemical Structure, Dynamics and Mechanisms program of the Chemistry Division, Dr. Carl Gottlieb and Dr. Michael McCarthy will isolate and identify oxygen-bearing species that play key roles in chemical reactions which are ubiquitous on Earth, occurring both in the atmosphere and in hydrocarbon combustion. To meet this challenge, new diagnostic tools will be developed to simultaneously analyze mixtures of gases that contain many chemical compounds rapidly. The work will allow chemical models with greater predictive power to be developed for our atmosphere and combustion. The project will also lead to improved analytical gas sampling techniques, which has practical implications to human health.This project focuses on the characterization of elusive reactive intermediates that are produced in many reactions involving oxygen, ozone, and the OH radical. These studies will establish the existence of the key intermediates by using sensitive high-resolution rotational spectroscopy, and provide insights into their formation and molecular structure. Synergistic collaborations with leading experimental and theoretical groups here and abroad will enhance many of the proposed investigations. Technological innovation is an integral component of the work, and efforts to develop automated, "library-free" approaches to identify entirely new chemical compounds will be developed. Activities of potential societal benefit include an extensive education and outreach program with partners that entails an interactive traveling exhibit to three New England venues; the introduction of students to new experiences in science, engineering and mathematics; and a student visitor program. These programs will reach public audiences and underrepresented groups, and serve as an excellent vehicle for teaching, training, and learning.