Alan R. Mochel, A. Bjørseth, C. O. Britt
Oct 1, 1973
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0
Influential Citations
12
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Journal
Journal of Molecular Spectroscopy
Abstract
Abstract The microwave spectra of four isotopic species of 3-methyl-1-butyne, isopropylacetylene, (CH 3 ) 2 CHCCH, have been analyzed. With certain assumed structural parameters the following parameters were calculated: r (CC) = 1.495 ± 0.011 A , r (CC) = 1.527 ± 0.003 A , ∢ (CCC) = 109.6±0.2° and ∢(CCC) = 112.9±0.3°. The dipole moment was determined to be 0.721 ± 0.009D. A tentative assignment of the vibrational excited states indicates that the barrier to internal rotation of the methyl groups is 3650 ± 500 cal/mole. The results are compared to those of similar molecules, especially with cyclopropylacetylene.