Vibrational Circular Dichroism (VCD) distinguishes optical isomers of chiral molecules.  Introduction of VCD technology into the undergraduate chemistry curriculum integrates a wide variety of chemistry concepts suitable for capstone lab experiences and research.  The ChiralIR-2X from Biotools Inc. quickly and efficiently collects spectra making this technique practical for use in undergraduate chemistry labs.  Operating procedures, sample preparation, and analysis methods for the ChiralIR-2X will be established.  Optical VCD strengths will be computed using Gaussian 09 and spectra simulated in GaussView.  Gaussian data is essential in interpreting the spectrum and assigning the absolute configuration for specific samples.  Conformations are especially important in modeling samples with freely rotating single bonds.  Several rigid and flexible chiral molecules will be used to create standards for calibrating the ChiralIR-2X.  These protocols will create references for future experiments.  We will also describe student explorations ideal for use in a variety of undergraduate courses.

Educational potential of VCD for undergraduate chemists

239th National Meeting (2010)

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