VIBRATIONAL SPECTRA AND THEORETICAL CALCULATIONS FOR 2-METHYLCYCLOPENTANONE

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1997

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Ohio State University

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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 (75cm−1), the ring twisting (251cm−1), and the methyl torsion (209cm−1). Preliminary fluorescence studies of the C=O inversion in the S1(n,π) state have been carried out.

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Author Institution: Department of Chemistry, Texas A&M University

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