Ab initio calculations at the MP2 level show that the CH 3 −Hg bond is broken by halogenic acids by a one-step mechanism, proceeding through a closed transition state in which, however, bond forming and breaking are not completely synchronous. Activation energies closely parallel Hg−C bond strengths and are strongly influenced by the electronegativity of the ligands bound to Hg. For instance, the energy barrier decreases by roughly 50% on going from CH 3 HgCl to CH 3 HgCH 3 . The general agreement between computed and experimental trends gives further support to the reaction mechanism.
No takes yet. Share an insight, caveat, or question.
Barone et al. (1996) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: