Vibrational and Conformational Analysis of 5-Methyl-2-Hexyne |
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| Authors: | J D Woodyard G A Crowder |
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| Institution: | 1. Department of Chemistry and Killgore , Research Center West Texas State University , Canyon, Texas, 79016;2. Department of Chemistry , Louisiana Tech University , Ruston, LA, 71272 |
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| Abstract: | Infrared and Raman spectra were obtained for 5- methyl-2-hexyne and wereinterpreted with the aid of normal coordinate calculations. The spectra and molecular mechanics calculations show the compound to exist in two spectroscopically distinguishable stable conformations, with the C1 conformer being only a little more stable than the Cs, conformer. Vibrational assignments were made for both conformers. |
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| Keywords: | 5-Methyl-2-hexyneI vibrational spectra normal coordinate calculations molecular mechanics calculations |
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