Computers and Spectroscopy: An Integrated Laboratory Approach

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This project will develop an advanced physical chemistry laboratory which will expose students to a modern computer-based approach to spectroscopy and molecular modeling. The experiments are designed to illustrate the close interaction between experiment, theory and simulation that characterizes modern physical chemistry. The experiments are centered about three instruments -- a Fourier transform infrared (FTIR) spectrometer, a laser, and a differential scanning calorimeter. These instruments will be used to investigate the response of carefully chosen systems to electromagnetic radiation or heat, and the results of each measurement will be compared with those simulated by the computer on the basis of molecular models. This Instrumentation and Laboratory Improvement (ILI) award from the Chemical Instrumentation Program will help the Department of Chemistry at Duke University to acquire spectroscopic, calorimetric and computer equipment that will be used to enhance undergraduate laboratory instruction.