In this award, funded by the Chemical Structure, Dynamics and Mechanisms Program of the Chemistry Division, Prof. Michael C. Heaven of Emory University and his research group investigate the unusual bonding mechanisms of beryllium. This element and its compounds exhibit unique properties. For example, beryllium alloys are used as lightweight structural materials due to their exceptional strength to weight ratios. The remarkable durability of the metal is reflected by the fact that it is used as a plasma facing material in fusion reactors. The chemistry of beryllium is underexplored due to its toxicity. To circumvent this problem, there have been many theoretical studies of beryllium and its compounds. However, beryllium poses a severe challenge for many computational techniques. The difficulties encountered are directly related to the unusual bonding characteristics.
At present, the experimental data needed to evaluate quantum chemical models for beryllium are lacking. This validation is needed to establish confidence in the computational methods used to identify compounds with valuable physical and chemical properties. Experimental studies of prototypical beryllium compounds are the primary objectives of this program. Spectroscopic techniques, applied to gas phase molecules and ions, are used to obtain structural and thermodynamic properties. The species examined, oxides, hydroxides and carbides, are chosen because they have been the subjects of high-level theoretical investigations. The research provides the graduate and undergraduate students, and post-doctoral associates involved with a rich experience in advanced experimental and theoretical methods. A successful collaboration with Spelman College, that provides research opportunities to students from a historically Black women's college, continues.
