Quantum-chemical investigation of the mechanism of nucleophilic addition of Cl− to the triple bond of methyl acetylenedicarboxylate
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A quantum-chemical investigation of the mechanism of the nucleophilic oxidative addition of Cl− to methyl acetylenedicarboxylate was undertaken by the MNDO-PM3 method. Each stage of the two-stage mechanism involves the addition of Cl− to the carbon-carbon multiple bond of the substrate with subsequent one-electron oxidation of the intermediates.
KeywordsTriple Bond Nucleophilic Addition Chloride Anion Acetylenedicarboxylate Acetylene Molecule
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