Abstract
Pulsed-beam Fourier transform microwave spectroscopy was used to study propanethial S-oxide (1), an unstable species generated in a (Z)/(E) ratio of 98/2 by pyrolysis of 2-methyl-2-propyl-1‘-propenyl vinyl sulfoxide at 350 °C in Ar or Ne/He gas flows. A fit of 25 transition frequencies to a Watson “A” reduced Hamiltonian gave the following rotational constants and centrifugal distortion constants for the normal isotopomer of (Z)-1a: A = 10 182.2558(3) MHz, B = 2209.5000(9) MHz, C = 1997.1734(8) MHz, ΔJK = −62.69(2) kHz, ΔJ = 4.165(3) kHz, δJ = 0.3336(3) kHz and δK = −31.7(4) kHz. Twelve transitions were fit in the same manner for (E)-1b to give A = 16231(86) MHz, B = 1823.6154(7) MHz, C = 1785.7215(7) MHz, ΔJK = −12.5(5) kHz, ΔJ = 0.48(1) kHz, δJ = −0.060(8) kHz. Microwave spectra of six (Z) isotopomers were assigned and a partial substitution structure was derived: r(CS) = 1.585(6) A, r(SO) = 1.473(2) A, r(CHCH2) = 1.513(7) A, r(CH3CH2) = 1.536(3) A, θ(CSO) = 113.8(2)°, θ(CCS) = 126.7(3)°, and φ(CCCS) ...
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