Research Overview and Links
My primary interest is using high level molecular orbital calculations to model mechanisms of proton transfer between carbon acids and methoxide in the gas phase and solution. Our group attempts to model the solvent effects of methanol molecules on the overall mechanism of the proton transfer reaction.
To mimic these solution effects, microsolvation methods are employed, and my group's second project deals with modeling methanol clusters up to 20 molecules. Recent acquisition of a triple quadrupole mass analyzer with an atmospheric electrospray ionization source will provide experimental data for the solvated clusters. This, in combination with the previous project, allows us to model complex solvation and reaction systems in very new ways.
Our third project deals with the ion-channeling abilities of the protein valinomycin. We are currently investigating the mechanisms of dehydrohalogenation reactions within the active site of valinomycin in order to model certain alkali metal complexations that occur within the human body.
View a 30-second movie featuring Matthew Sprague, a recent alumnus who is currently working toward his Ph.D. at CalTech.
