Abstract
Thermodynamic stability of diatomic dications is an unusual phenomenon, which is mostly restricted to noble gas compounds. Potential energy curves are reported for the four MgX 2+ diatomic dications listed in the title. Of the four, MgN 2+, MgF 2+ and MgNe 2+ are thermodynamically stable, i.e. lie below their lowest dissociation limits, by 0.59, 0.82 and 0.48 eV, respectively. MgO 2+ has the largest kinetic stability, with an effective dissociation barrier of 1.33 eV. Possible modes of formation of these dications are discussed.
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