Gas-Phase Studies of Organic Bi-, Tri- and Tetraradicals

有机双自由基、三自由基和四自由基的气相研究

基本信息

批准号：
0616798
负责人：
Hilkka Kenttamaa
金额：
$ 51.2万
依托单位：
Purdue University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2006
资助国家：
美国
起止时间：
2006-06-15 至 2009-05-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=0616798&HistoricalAwards=false
关键词：
Gas Phase Studies Organic Bi

项目摘要

With this renewal award, the Organic and Macromolecular Chemistry Program supports the work of Professor Hilkka I. Kenttamaa of the Chemistry Department at Purdue University. This research will investigate organic bi-, tri- and tetraradicals in the gas-phase using mass spectrometry and computational chemistry. The possibility of tuning the reactivity of biradicals will be explored by experimental studies on the reactivity of a series of differently substituted heterocyclic biradicals and by computational studies on their geometries and electronic structures in collaboration with research groups at Purdue and the University of Minnesota. These investigations are especially intriguing due to the role biradicals in the cleavage of DNA. The influence of a third radical site upon reactivity will be probed by studying triradicals, about which little is currently known. In addition, the first attempts will be made to synthesize and investigate the properties of related tetraradicals. The new experimental methodologies developed for the characterization of these elusive reactive intermediates will facilitate the rational design of radicals with tailored properties. The results are expected to impact areas including organic synthesis, materials chemistry and drug design. The research will promote learning through direct research experiences for undergraduates and graduates. A geographically diverse group of student researchers with a large percentage of women and underrepresented minorities will carry out these investigations.

有了这一续签奖，有机和大分子化学计划支持普渡大学化学系的Hilkka I. Kenttamaa教授的工作。这项研究将使用质谱和计算化学研究在气相中研究有机双，三自动和四方。通过有关一系列不同替代的杂环biradicals的反应性以及与普渡大学和明尼苏达大学的研究小组合作的计算研究，将探索Biradicals的反应性的可能性。由于Biradical在DNA的裂解中的作用，这些研究尤其引人入胜。通过研究三位一体，将探测第三个自由基对反应性的影响，目前知之甚少。此外，将首次尝试合成和研究相关四方的特性。为这些难以捉摸的反应性中间体的表征而开发的新实验方法将促进具有量身定制特性的自由基的理性设计。预计该结果将影响包括有机合成，材料化学和药物设计的领域。该研究将通过对本科生和毕业生的直接研究经验来促进学习。拥有大量妇女和代表性不足的少数妇女的学生研究人员将进行这些调查。