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Microwave Flash Pyolsys（MFP），该方法是在UNH开发的方法。 MFP方法将微波合成化学的范围大大扩展到高温方案。这项研究将导致发现新的高能化学反应，并对微波诱导的固体表面上的化学反应有更多了解。还将探讨石墨，碳纳米管和其他材料通过MFP方法的化学功能化。使用理论指导实验研究，将研究周期反应的各个方面。周环反应通常用于制造或打破分子环。在该项目中，涉及异常紧张和反应环的脱氢周期环反应的新型概念将作为发现新化学过程的基础。在该项目的另外一个组成部分中，将研究臭氧与羰基化合物的反应。臭氧是一种高度反应性和短暂的物质。计划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（William Bailey）教授的合作项目中，PI和他的学生将创建针对卡宾类反应的计算模型，探讨机制和立体化学的关键方面。在这项工作中发现的新反应，方法和材料将在有机综合和材料科学中广泛应用。计划的研究将作为研究生和本科生的专业培训。除这项研究外，约翰逊教授还将制定一项外展计划，以帮助高中教师通过计算机分子建模来增强其化学课程。