Hydration of excess electrons trapped in charge pockets on molecular surfaces

Abraham F. Jalbout, R. Del Castillo, Ludwik Adamowicz

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

Abstract

In this work we strive to design a novel electron trap located on a molecular surface. The process of electron trapping involves hydration of the trapped electron. Previous calculations on surface electron trapping revealed that clusters of OH groups can form stable hydrogen-bonded networks on one side of a hydrocarbon surface (i.e. cyclohexane sheets), while the hydrogen atoms on the opposite side of the surface form pockets of positive charge that can attract extra negative charge. The excess electron density on such surfaces can be further stabilized by interactions with water molecules. Our calculations show that these anionic systems are stable with respect to vertical electron detachment (VDE).

Original languageEnglish (US)
Pages (from-to)15-19
Number of pages5
JournalChemical Physics Letters
Volume434
Issue number1-3
DOIs
StatePublished - Jan 26 2007

ASJC Scopus subject areas

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

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