3.6- Diamino-1,2-dithiin, structure

The results are critically dependent on the level of theory. However, a stepwise mechanism with closed shell structures along the reaction path was found to be lower in energy than a concerted reaction. An all-cw conformer of 172 is reported to be a transition state rather than an intermediate. Similarities of the conformational isomers of the intermediate 2-butenedithial 172 with the dinitrosoethylenes discussed in Section IV,c are evident. 3,6-Diamino-substituted dithiins are predicted to be more stable in the open-chain bisthioamide structure [95JST51]. The... 

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