Microwave spectra and structure for SO2⋅⋅⋅H2S, SO2⋅⋅⋅HDS, and SO2⋅⋅⋅D2S complexes

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Abstract
Microwave spectra for the SO2⋅⋅⋅H2S, SO2⋅⋅⋅HDS, and SO2⋅⋅⋅D2S complexes were measured using a pulsed beam, Fourier transform microwave spectrometer. Both a-dipole and c-dipole transitions were obtained. A total of 24 transitions were obtained for SO2⋅⋅⋅H2S, yielding A=8447.3(2), B=1762.004(7), C=1538.483(7) MHz, ΔJ=5.04(2) , ΔJK=65.46(9) , ΔK=−323(240) , δJ=0.63(1) and δK=38(3) kHz. For SO2⋅⋅⋅HDS, nine transitions yielded A=8229.7(6), B=1737.99(1), C=1519.69(2) MHz, ΔJ=4.4(4) and ΔJK=60(2) kHz, and for SO2⋅⋅⋅D2S, 11 transitions yielded A=8017.6(6), B=1715.24(2), C=1501.24(2) MHz, and ΔJ=3.8(4) , ΔJK=51(2) kHz. For the H2S data only, there are four possible structures for the complex which fit the data. When the deuterium isotope data are included, only two possible structures fit the data. There is only one structure which allows two O⋅⋅⋅H hydrogen bonds, and this is the structure we favor. This analysis basically gives a ‘‘stacked’’ structure with two O⋅⋅⋅H hydrogen bonds and a near Van der Waals radius contact between the two sulfur atoms.