EXPERIMENTAL AND AB INITIO THEORETICAL VIBRATIONAL CIRCULAR DICHROISM OF SUBSTITUTED OXIRANES

Author Institution: Department of Chemistry, Vanderbilt UniversityVibrational circular dichroism (VCD) spectra in the 1600-700 $cm^{-1}$ region will be reported for trans-2,3-dimethyloxirane, trans-2,3-dimethyloxirane-$2,3-d_{2}$ and trans-2,3-dimethyloxirane$-2-d_{1}$. These compounds were synthesized using a novel synthetic scheme developed by two of us (STP and HES). Ab initio localized molecular orbital (LMO) calculations have been carried out with 6-31G basis set. A quantitative comparison of the experimental and theoretical results will be presented