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 Scopus citations

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
DOIs
StatePublished - Oct 3 1997

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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