Abstract
The potential interaction surface between polyhydrated monomethyl mercury cation and 1-chloro-2.2-propane dithiol has been studied by quantum chemical methods. The system generates the hydroxonium cation due to the interaction, which is a demethylating agent for methylmercury. The total thermal balance of the demethylation reaction is 244.5 kJ/mol, the activation energy of the limiting stage in the process has a value of 39.1 kJ/mole.
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