PAM analysis of the microwave spectra of thioacetic acid,CH3COSH and CH3COSD |
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Authors: | Takashi Naito Osamu Ohashi Ichiro Yamaguchi |
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Affiliation: | Department of Chemistry, Faculty of Science and Technology, Sophia University, 7 Kioi-cho, Chiyoda-ku, Tokyo 102, Japan |
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Abstract: | The microwave spectra of two isotopic species of thioacetic acid, CH3COSH and CH3COSD, have been studied. Using the principal axis method (PAM), including terms through n = 6 in the perturbation series and the denominator correction, the spectra were analyzed and 45 lines for CH3COSH and 40 lines for CH3COSD were assigned. The parameters obtained by the least-squares analysis are A = 9913.29 ± 0.56 MHz, B = 4923.11 ± 0.23 MHz, C = 3354.60 ± 0.24 MHz, θ = 57.080 ± 0.030°, s = 6.2980 ± 0.0012, and Iα = 3.198 ± 0.020 amu for CH3COSH, and A = 9662.80 ± 0.78 MHz, B = 4810.74 ± 0.26 MHz, C = 3273.92 ± 0.18 MHz, θ = 55.097 ± 0.024°, s = 5.9742 ± 0.0016, and Iα = 3.171 ± 0.020 amu for CH3COSD. The barrier to internal rotation of the methyl group is V3 = 222.6 ± 1.4 cal/mole for CH3COSH and V3 = 212.9 ± 1.4 cal/mole for CH3COSD. The Stark effect measurements of A species transitions for CH3COSH led to the dipole moment μ = 1.821 ± 0.013 D with the components μa = 0.191 ± 0.010 D and μb = 1.811 ± 0.013 D. |
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