High Energy Routes to Strained Molecules and Reactive Intermediates

应变分子和反应性中间体的高能路线

• 批准号: 0910826
• 负责人: Richard Johnson
• 金额: $ 51.85万
• 依托单位: University of New Hampshire
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-07-01 至 2013-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0910826&HistoricalAwards=false
• 关键词: Energy; Routes; Strained; Molecules; Reactive

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.

约翰逊教授和他的学生将研究微波闪速热解（MFP），一种在UNH开发的方法。MFP方法极大地扩展了微波合成化学的范围到高温区域;这项研究将导致发现新的高能化学反应，并更好地理解微波诱导的固体表面化学反应。还将探索通过MFP方法对石墨、碳纳米管和其他材料进行化学官能化。周环反应的各个方面将被研究，用理论指导实验研究。周环反应通常用于形成或断开分子环。在这个项目中，新的概念，包括不寻常的紧张和反应性的环，将作为一个基础，发现新的化学过程。在该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。臭氧是一种高活性和短寿命的物质。计划中的研究将导致对大气臭氧化学的新认识，并可能在有机合成中得到应用。 在与康涅狄格大学的William Bailey教授的合作项目中，PI和他的学生将创建类卡宾反应的计算模型，探索机制和立体化学的关键方面。本工作发现的新反应、新方法和新材料在有机合成和材料科学中具有广泛的应用前景。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，约翰逊教授将开发一个推广计划，以帮助高中教师加强他们的化学课程与计算机分子建模。