Organic Chemistry in Harsh Reaction Environments

在这个由化学部化学结构、动力学和机理B项目资助的项目中，威斯康星大学麦迪逊分校化学系的Robert J. McMahon教授将研究有机化合物在温度、压力或辐射等恶劣条件下的行为。这些条件类似于火焰（燃烧）或太空中的条件，导致有机化合物的降解并产生高度反应产物的复杂混合物。拟进行的研究将探索这些活性分子的化学性质和化学反应。这项研究为理解两个非常不同的问题提供了基础：一个涉及燃烧，另一个涉及空间化学。有机燃料的燃烧是我国能源供应和国民经济的核心。对燃烧的基本理解提供了提高燃料燃烧的能源效率和减少不完全燃烧产生的污染物（烟灰）的可能性。在星际空间中，我们现在知道，数百种不同的有机化合物存在于整个星系的环境中，这些环境非常恶劣，因为它们太热了（靠近恒星），或者因为它们太冷了（远离恒星）。研究这些环境是理解宇宙中有机物质分布和识别可能成为生命前身的分子的关键一步。麦克马洪教授和他的同事也将继续参与各种科学教育和推广活动。这里提出的基础化学研究仅仅在几年前是不可能的。实验和计算技术的巨大进步，使我们能够分析和解释从反应物质的复杂混合物中得到的实验光谱。直接研究这些物种是具有挑战性的，因为这些分子通常表现出高反应性。然而，正是这些短暂中间体的反应化学控制了系统的化学行为。在燃烧化学中，准确确定反应中间体的平衡结构将为原型分子提供重要的基准，并且理论可以进一步用于建立对建模重要的热力学参数。在天体化学方面，阿塔卡马大型毫米波/亚毫米波阵列（ALMA），一个位于智利北部阿塔卡马沙漠的射电望远镜天文干涉仪，于2013年完工，正在产生大量新的射电天文数据。这些数据只能通过与将通过拟议的研究获得的实验室光谱进行比较来解释。

In this project funded by the Chemical Structure, Dynamics & Mechanism B Program of the Chemistry Division, Professor Robert J. McMahon of the Department of Chemistry at the University of Wisconsin-Madison will investigate the behavior of organic compounds under harsh conditions of temperature, pressure, or radiation. These conditions, which are similar to the conditions found in flames (combustion) or in space, cause the degradation of organic compounds and generate a complex mixture of highly reactive products. The proposed research will explore the chemical properties and chemical reactions of these reactive molecules. This research provides a foundation for understanding two very different problems: one involving combustion and another involving the chemistry of space. Combustion of organic fuels is central to our nation's energy supply and national economy. A fundamental understanding of combustion offers the possibility of enhancing the energy efficiency of fuel combustion and minimizing pollutants (soot) that arise from incomplete combustion. In interstellar space, it is now known that hundreds of different organic compounds exist throughout the galaxy in environments that are harsh because they are so hot (near stars) or because they are so cold (far from stars). Studying these environments is a crucial step in understanding the distribution of organic material in the universe and identifying molecules that could be precursors to life. Professor McMahon and his coworkers will also continue their engagement in a variety of science education and outreach activities. The fundamental chemical studies proposed herein would not have been possible only a few years ago. Tremendous advances in both experimental and computational techniques now permit the analysis and interpretation of the experimental spectra obtained from complex mixtures of reactive species. Direct studies of these species are challenging because these molecules typically exhibit high reactivity. Nevertheless, it is the reaction chemistry of these ephemeral intermediates that governs the chemical behavior of the system. In combustion chemistry, the determination of accurate equilibrium structures of reactive intermediates will provide important benchmarks for prototypical molecules, and theory can be further used to establish thermodynamic parameters that are important for modeling. In astrochemistry, the Atacama Large Millimeter / sub-millimeter Array (ALMA), an astronomical interferometer of radio telescopes in the Atacama Desert of northern Chile completed in 2013, is generating a deluge of new radio-astronomical data. These data can be interpreted only by comparison with laboratory spectra of the type that will be obtained through the proposed studies.