Mechanistic Studies of Organic Reactivity

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The Chemical Structure, Dynamics, and Mechanisms Program supports Professor Jeehiun K. Lee at Rutgers University New Brunswick whose research describes gas-phase experimental and computational studies designed to gain an improved understanding of the acidity, basicity and reactivity of organic species, such as damaged nucleobases and heterocyclic carbenes (NHCs). The fundamental properties of normal and damaged bases will be examined to gain an essential understanding of how damaged bases, some of which are quite mutagenic, differ in properties from normal bases. These fundamental studies will elucidate the intrinsic properties of damaged bases, which have implications for ultimately controlling their mutagenicity. N-Heterocyclic carbenes (NHCs) are stabilized carbenes that have a wide variety of applications including, as effective novel ligands for transition-metal-catalyzed reactions; as catalysts in their own right, for a range of organic transformations; and in protonated form, as environmentally "clean" nonvolatile solvents for organic reactions (ionic liquids). In this project, the gas phase proton affinity of such carbenes will be explored, using mass spectrometric methods. The resulting knowledge may be useful for improved design of NHCs as ligands, catalysts and ionic liquids since the basicity of such species impacts their utility in these applications.With the support of the Chemical Structure, Dynamics, and Mechanisms Program in the Chemistry Division at the National Science Foundation, Dr.Lee's research will utilize experimentation and theory while involving mass spectrometry, organic synthesis and different levels of calculations to provide excellent training and education for undergraduate and graduate students. The proposed work will advance the understanding of the thermochemical properties of a wide range of molecules, and has the potential to impact a wide range of topics, including enzyme mechanism, mutagenicity of unnatural nucleobases, and synthetic utility of carbenes. The PI is dedicated to the recruitment and inclusion of women and underrepresented minorities into science. She is involved with the Rutgers Office of Promotion of Women in Science, Engineering and Math, which was recently awarded an NSF Advance Grant to promote the participation and advancement of women in science, engineering and math through recruitment, retention, networking, liaisons, communication, visibility and family initiatives. On a smaller scale, the PI has three Ph.D.-track female graduate students and through her new role as the Director of Graduate Admissions in the Chemistry Department at Rutgers University. Dr. Lee has been and will continue to be actively involved in recruiting a diverse graduate population.