Va. Shagun et al., Conformational mobility and intramolecular rearrangements of bis(3-thioxo-1-phenylpropenyl) sulfide, RUSS CHEM B, 48(12), 1999, pp. 2229-2235
Possible intramolecular transformations of bis(3-thioxo-1-phenylpropenyl) s
ulfide were studied by the quantum-chemical semiempirical AM 1 method. A gr
oup of the most stable, potentially spectroscopically discernible rotamers
was distinguished. A possibility of intramolecular rearrangements giving th
iirane structures was considered. The ability of bis(3-thioxol-phenylpropen
yl) sulfide for spontaneous trimerization was evaluated.