RUI: Spectroscopic studies of halogen substitution effects on covalent and noncovalent interactions in ionic and neutral species

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In this award, funded by the Chemical Structure, Dynamics and Mechanisms program of the Division of Chemistry, Professors Sean and Rebecca Peebles of Eastern Illinois University, together with their undergraduate and graduate student researchers, will investigate the structures and spectra of novel, unstable halogen-containing species, including carbocations, anionic dimers and neutral C-H hydrogen bound complexes. These species will be studied using microwave spectroscopic techniques coupled with computational chemistry. The goal of these studies is to determine the effects of varying halogen substitutions on the specific orientations of molecules within weakly hydrogen bound dimers, on the type of bonding in carbocationic species, as well as investigating the preferred orientations for interaction of halide ions with alkynes, aromatic compounds, and other pi systems.Fundamental information on the properties of matter may be gained from the study of weak interactions between molecules. These interactions drive the formation of molecular machines, the properties of liquids and solids, the interactions of proteins, ions, and drugs in biological systems, the ways chemicals in the atmosphere interact, and the mechanisms by which chemical reactions such as combustion occur. Research funded by this award aims to understand the strengths and physical properties of these interactions. The undergraduate and graduate students working on these projects will acquire hands-on experience in design and modification of sophisticated spectroscopic apparatus in order to produce and trap the specific novel chemicals of interest, and in acquiring, analyzing and interpreting data collected using this apparatus. They will also gain experience presenting their results at international, national and regional conferences.