CAREER: Gas Phase Thermochemical Properties of Amino Acids and Fundamental Investigations of the Extended Kinetic Method

College Of William And Mary, Williamsburg VA

Investigators

Abstract

In this project, funded by the Experimental Physical Chemistry Program of the Chemistry Division, Prof. John Poutsma of the College of William and Mary will conduct an integrated teaching and research program in the area of gas phase chemistry. The research consists of two major thrusts: 1) Fundamental investigations of collision energy and entropy effects in the entropy-corrected and standard form of the kinetic model, and 2) the thermochemistry of protein and non-protein amino acids in the gas phase. In the first of these studies, a series of compounds with known thermochemistry will be investigated in order to determine the strengths and limitations of the entropy-corrected extended kinetic method for the prediction of reaction entropies. These studies will be performed in two collision energy regimes: 1) The low-energy multiple-collision regime of the ion trap instrument, and 2) the higher energy, single-collision regime in a flowing afterglow-triple quadrupole instrument. These latter studies will be conducted with Prof. P. Wenthold at Purdue University. In the second area, the intrinsic thermochemical properties of twenty common protein amino acids (PAA) as well as a variety of naturally occurring non-protein amino acids (NPAA) will be determined. The properties of the NPAAs will be determined relative to their PAA analogs. The experimental work will be accompanied by gas-phase density functional calculations. Prof. Poutsma will develop a new course on computational chemistry designed for senior undergraduates and master's students. In addition, mass spectrometry experiments will be introduced in laboratories for both lower and upper division courses. Prof. Poutsma will also participate in the College's new Chancellor's Academy summer program for high school students by teaching classes in environmental science.