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- Title
Mechanisms of rearrangements of substituted thiocyclopropenes.
- Authors
Dushenko, G.; Mikhailov, I.; Mikhailova, O.; Minyaev, R.; Minkin, V.
- Abstract
The article discusses the study which determines the possible migration routes of thiocyclopropenes in compounds 3-phenylthio-1,2,3-triphenylcyclopropene, bis(1,2,3-triphenylcyclopropenyl) sulfide, and 1,2,3-triphenylcyclopropenyl O-ethyl dithiocarbonate. The study uses density functional theory (DFT) method to determine the mechanisms of thio groups in the compounds in the gas phase. Result shows that the compounds corresponds to the respective potential energy surfaces (PES) minima.
- Subjects
SULFIDES; ETHYLENE; DENSITY functional theory; GAS phase reactions; POTENTIAL energy surfaces; MIGRATION reactions (Chemistry)
- Publication
Doklady Chemistry, 2013, Vol 452, Issue 1, p220
- ISSN
0012-5008
- Publication type
Article
- DOI
10.1134/S0012500813090036