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Vibrational Spectra,Normal Coordinate Calculations,and Molecular Mechanics Calculations for 2, 3, 3-Trimethyl-1-Butene
Authors:G. A. Crowder  Wu Tian
Affiliation:Department of Chemistry , Louisiana Tech University , Ruston, LA, 71272
Abstract:
Infrared and Raman spectra were obtained for 2, 3, 3-trimethyl-1-butene, and a vibrational assignment was made with the aid of normal coordinate calculations. Molecular mechanics calculations were also made to determine molecular parameters of the stable conformation. Values for the force constants of a forty-one parameter modified valence force field were obtained that will be used for other 2-methyl-1-alkenes that contain substituted methyl groups.
Keywords:2,3,3-Trimethyl-1-butene  vibrational spectra  normal coordinate calculations  molecular mechanics calculations
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