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.

通过这一续奖，有机和高分子化学项目支持普渡大学化学系 Hilkka I. Kenttamaa 教授的工作。 这项研究将利用质谱和计算化学研究气相中的有机双自由基、三自由基和四自由基。将与普渡大学和明尼苏达大学的研究小组合作，通过对一系列不同取代的杂环双自由基的反应性的实验研究以及对其几何结构和电子结构的计算研究，探索调整双自由基反应性的可能性。由于双自由基在 DNA 裂解中的作用，这些研究特别有趣。 第三个自由基位点对反应性的影响将通过研究三自由基来探讨，目前对此知之甚少。 此外，还将首次尝试合成和研究相关四价基团的性质。 为表征这些难以捉摸的反应中间体而开发的新实验方法将有助于合理设计具有定制特性的自由基。研究结果预计将影响有机合成、材料化学和药物设计等领域。 该研究将通过本科生和研究生的直接研究经验促进学习。 这些调查将由来自不同地域的学生研究人员组成，其中女性和代表性不足的少数族裔占很大比例。