Conformational mobility and intramolecular rearrangements of bis(3-thioxo-1-phenylpropenyl) sulfide

Authors
Shagun, VA Timokhina, LV Panova, GM
Citation
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
Citations number
19
Categorie Soggetti
Chemistry
Journal title
RUSSIAN CHEMICAL BULLETIN
ISSN journal
10665285 → ACNP
Volume
48
Issue
12
Year of publication
1999
Pages
2229 - 2235
Database
ISI
SICI code
1066-5285(199912)48:12<2229:CMAIRO>2.0.ZU;2-0
Abstract
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.