VIBRATIONAL OVERTONE SPECTROSCOPY OF CYCLOHEPTATRIENE NEW METHOD FOR SPECTRAL ASSIGNMENTS IN THE OVERTONE SPECTROSCOPY
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Date
1997
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Ohio State University
Abstract
The spectrum of the first through fifth vibrational overtone absorption of cycloheptatriene is reported. The spectrum for the first and second overtones was recorded using a liquid sample while the third, fourth and fifth overtones were recorded for gaseous sampler. A Direct Correlation (DC) method is developed using the correlation between ab initio CH bond lengths and the local mode transition energy to predict the experimental spectra for the third, fourth and filth overtones. These predictions were used TO assign the absorption peaks for the boat Conformer of cycloheptatriene in the spectrum. Progressions belonging to the olefinie and methylenic CH bond stretches are identified for both the gascous and liquid data. The description of the DC method and interpretation of the cycloheptatriene spectrum will he presented.
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Author Institution: Center for Photochemical Sciences, Bowling Green State University