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

• 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

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.

通过这个续展奖项，有机化学和高分子化学项目支持普渡大学化学系希尔卡·I·肯塔玛教授的工作。这项研究将利用质谱学和计算化学来研究气相中的有机双、三和四氢化合物。通过与普渡大学和明尼苏达大学的研究小组合作，对一系列不同取代的杂环双自由基的反应性进行实验研究，以及对其几何和电子结构进行计算研究，将探索调节双自由基反应性的可能性。由于双自由基在DNA切割中的作用，这些研究特别耐人寻味。第三个自由基位置对反应性的影响将通过研究三自由基来探讨，目前对三自由基知之甚少。此外，还将首次尝试合成和研究相关的四氢化合物的性质。为表征这些难以捉摸的活性中间体而开发的新的实验方法将有助于合理设计具有定制性质的自由基。预计这一结果将对有机合成、材料化学和药物设计等领域产生影响。这项研究将通过本科生和研究生的直接研究经验来促进学习。一个地理位置不同的学生研究人员小组将开展这些调查，其中妇女占很大比例，少数族裔代表不足。