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From 9 microwave rotational spectra of 7 isotopic species of dimethyl sulfoxide the restructure of the molecule has been calculated. However, one H-atom is positioned so near a principal inertial plane that one coordinate could not be reliably determined. A special double substitution method aimed at improving this remaining coordinate was applied with limited success; r 0 -structure calcu­lations were performed and discussed based on differently chosen sets of isotopic spectra. The tor­sional fine structure due to the internal CH 3 -rotation was reanalyzed with improved structural para­meters.

r s -Struktur von Dimethylsulfoxid im Vergleich zur r 0 -Struktur