Dipole-bound anions of ethylene glycol dimers. Theoretical ab initio study

Yasser Elkadi, Ludwik Adamowicz

Research output: Contribution to journalArticle

25 Scopus citations

Abstract

Ab initio calculations have been performed to determine the electron affinity of the ethylene glycol molecule and its dimer. Although, as determined, the glycol molecule has only a marginal ability to bind an excess electron, the three glycol H-bonded dimers, whose structures were found in the calculations, have much higher electron affinity values. In all cases the excess electron is bound by the dipole field of the complex. The attachment of the excess electron lowers the relative energy differences between the three complexes, making their coexistence more probable.

Original languageEnglish (US)
Pages (from-to)507-514
Number of pages8
JournalChemical Physics Letters
Volume261
Issue number4-5
DOIs
StatePublished - Oct 25 1996

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ASJC Scopus subject areas

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

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