Dipole-bound anion of hydrogen fluoride dimer: Theoretical ab initio study

Riet Ramaekers, Dayle M A Smith, Yasser Elkadi, Ludwik Adamowicz

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Ab initio calculations have been performed to determine the electron affinity of the hydrogen fluoride dimer, (HF)2. Although, a single hydrogen fluoride molecule does not form a stable stationary state with an excess electron, the hydrogen fluoride dimer has a positive electron affinity. In this system the excess electron is bound by the dipole field of the complex. The present theoretical calculations render the value of adiabatic electron affinity equal to 52 meV. The calculated value is in a good agreement with experimental result of 63 ± 6 meV of Bowen and coworkers.

Original languageEnglish (US)
Pages (from-to)269-274
Number of pages6
JournalChemical Physics Letters
Volume277
Issue number1-3
StatePublished - Oct 3 1997

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Hydrofluoric Acid
Electron affinity
hydrofluoric acid
electron affinity
Dimers
Anions
dimers
dipoles
anions
Electrons
Positrons
electrons
Molecules
molecules

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Dipole-bound anion of hydrogen fluoride dimer : Theoretical ab initio study. / Ramaekers, Riet; Smith, Dayle M A; Elkadi, Yasser; Adamowicz, Ludwik.

In: Chemical Physics Letters, Vol. 277, No. 1-3, 03.10.1997, p. 269-274.

Research output: Contribution to journalArticle

Ramaekers, R, Smith, DMA, Elkadi, Y & Adamowicz, L 1997, 'Dipole-bound anion of hydrogen fluoride dimer: Theoretical ab initio study', Chemical Physics Letters, vol. 277, no. 1-3, pp. 269-274.
Ramaekers, Riet ; Smith, Dayle M A ; Elkadi, Yasser ; Adamowicz, Ludwik. / Dipole-bound anion of hydrogen fluoride dimer : Theoretical ab initio study. In: Chemical Physics Letters. 1997 ; Vol. 277, No. 1-3. pp. 269-274.
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