Abstract
The electronic structure and rearrangements of anionic [ClMg(η2-O2C)]− and [ClMg(η2-CO2)]− complexes have been elucidated by the combined use of bonding evolution theory, quantum theory of atoms in molecules, and non-covalent interaction index. The results obtained from this quantum chemical topological study allow identifying the evolution of strong and weak interactions among Mg, O, and C atoms, as well as the origin of the preference of the system for a determined reaction pathway, recovering the electron flow and bonding patterns along the reaction pathways connecting these complexes.
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