Quantum chemical calculations on the thermochemistry of gas-phase ScF 2+ and ScHe 3+ are reported. As the lightest possible closed-shell combinations of a transition metal with a halogen or rare gas atom, the identified species each possess noteworthy attributes. Our calculations show that ScF 2+ is thermodynamically stable; its dissociation to either Sc 2+ + F or Sc + + F + is highly endothermic. Further, ScF 2+ is a plausible exothermic product of a yet-unknown class of electron-detachment...[Show more]
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