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ScF 2+ and ScHe 3+ : two highly-charged episodes from the gas-phase adventures of scandium

Petrie, Simon

Description

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]

CollectionsANU Research Publications
Date published: 2004
Type: Journal article
URI: http://hdl.handle.net/1885/86459
Source: Chemical Physics Letters
DOI: 10.1016/j.cplett.2004.10.056

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