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.
