ScF 2+ and ScHe 3+ : two highly-charged episodes from the gas-phase adventures of scandium
Date
2004
Authors
Petrie, Simon
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Elsevier
Abstract
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 reactions which can be described as associative charge doubling: viz., F + + Sc → ScF 2+ + e. The triply-charged species ScHe 3+ appears to be the lightest known thermodynamically stable molecular trication.
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Keywords: Electron-detachment reactions; Rare gas atom; Thermochemistry; Halogen elements; Inert gases; Thermodynamic stability; Scandium compounds; fluorine; helium; scandium; transition element; article; dissociation constant; electricity; electron transport; gas
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Chemical Physics Letters
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Journal article
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2037-12-31
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