Abstract
Analysis of the variable temperature 1H and 13C and ambient temperature 2H NMR spectra coupled with IR spectra of S-methyl dithiocarbazate shows that the results can be best rationalized in terms of a mixture of cis-cis and trans-cis conformers. The assignment of the proton chemical shifts has been supported by utilizing lanthanide induced shifts. The torsional barrier about the CN bond has been determined; a full line shape analysis of the 1H spectra at different temperatures has been made. The rotational behaviour in the N-protonated form relative to the free base is also noted.
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