Quantum-chemical investigation of the mechanisms of reactions involving nucleophilic addition to acetylene. 3. Mechanism of the formation of vinylthio anions
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According to the data from the quantum-chemical calculation, the vinylthio anion CH2=CHS− can be observed as a result of the direct addition of an hydrosulfide ion to acetylene with a barrier having a height ≤123 kJ/mole.
One of the intermediate products in the reaction of acetylene with hydrogen sulfide in the presence of OH− ions is HC≡C−, which adds H2S to form the complex HC≡C−·H2S without a barrier. The CH2=CSH− anion forms from this complex with practically no barrier, and the formation of the vinylthio anion takes place with a barrier not exceeding 42 kJ/mole.
KeywordsHydrogen Sulfide Acetylene Intermediate Product Hydrogen Sulfide
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