High Energy Routes to Strained Molecules and Reactive Intermediates

约翰逊教授和他的学生将研究在北卡罗来纳大学开发的一种方法--微波闪速热解(MFP)。MFP方法极大地将微波合成化学的范围扩展到了高温区域，这一研究将导致发现新的高能化学反应，并加深对微波诱导固体表面化学反应的理解。还将探索用MFP方法对石墨、碳纳米管和其他材料进行化学功能化。将研究周环反应的不同方面，使用理论来指导实验研究。周环反应通常被用来制造或破坏分子环。在这个项目中，脱氢周环反应的新概念将作为发现新的化学过程的基础，该反应涉及到异常的张力环和反应环。在这个项目的另一个组成部分中，将研究臭氧与羰基化合物的反应。臭氧是一种活性很强、寿命很短的物质。计划中的研究将导致对大气臭氧化学的新理解，并可能在有机合成中应用。在与康涅狄格大学威廉·贝利教授合作的一个项目中，PI和他的学生将创建卡宾反应的计算模型，探索机制和立体化学的关键方面。这项工作中发现的新反应、新方法和新材料将在有机合成和材料科学中有广泛的应用。计划中的研究将作为研究生和本科生的专业培训。除了这项研究，约翰逊教授还将开发一个外展项目，帮助高中教师通过计算机分子建模来提升他们的化学课程。

Professor Johnson and his students will investigate microwave flash pyrolysis (MFP), a method developed at UNH. The MFP method greatly extends the range of microwave synthetic chemistry into high temperature regimes; this research will lead to the discovery of new high-energy chemical reactions and a greater understanding of microwave-induced chemical reactions on solid surfaces. Chemical functionalization of graphite, carbon nanotubes and other materials by MFP methods will also be explored. Diverse aspects of pericyclic reactions will be studied, using theory to guide experimental studies. Pericyclic reactions have been commonly applied to make or break molecular rings. In this project, the novel concept of dehydro pericyclic reactions, which involve unusually strained and reactive rings, will serve as a basis for the discovery of new chemical processes. In one additional component of this project, the reactions of ozone with carbonyl compounds will be investigated. Ozone is a highly reactive and short-lived substance. Planned research will lead to new understanding of atmospheric ozone chemistry, and may have applications in organic synthesis. In a collaborative project with Professor William Bailey at the University of Connecticut, the PI and his students will create computational models for carbenoid reactions, probing critical aspects of mechanism and stereochemistry. New reactions, methods and materials discovered in this work will have broad applications in organic synthesis and materials science. Planned research will serve as professional training for graduate and undergraduate students. In addition to this research, Professor Johnson will develop an outreach program to help high school teachers enhance their chemistry curriculum with computer molecular modeling.