VIBRATIONAL SPECTRA AND THEORETICAL CALCULATIONS FOR 2-METHYLCYCLOPENTANONE
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Date
1997
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Ohio State University
Abstract
The liquid and vapor phase far-infrared, mid-infrared and Raman spectra of 2-methyleyclopentanone have been recoded and analyzed. Semi-empirical (MM3) and ab-initio (Gaussian 94) calculations have also been performed to help assign the ground stare spectra and predict ground state conformation. The low frequency modes, were of special interest: the ring bending ($75 cm^{-1}$), the ring twisting ($251 cm^{-1}$), and the methyl torsion ($209 cm^{-1}$). Preliminary fluorescence studies of the C=O inversion in the $S_{1}(n,\pi^{*})$ state have been carried out.
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Author Institution: Department of Chemistry, Texas A\&M University