An excess electron trapped in molecular tweezers: Ab initio study

Abraham F. Jalbout, Claudio A. Morgado, Ludwik Adamowicz

Research output: Contribution to journalArticle

18 Scopus citations

Abstract

In this work, we have used theoretical ab initio calculations to design a molecular trap for an excess electron consisting of two chains of hydrogen-bonded HF molecules and a water molecule. A system with a 'tweezers'-type shape has been found, where the excess electron is localized between two HF molecules in a ⋯FH·e·HF⋯ bridge.

Original languageEnglish (US)
Pages (from-to)317-320
Number of pages4
JournalChemical Physics Letters
Volume383
Issue number3-4
DOIs
StatePublished - Jan 8 2004

ASJC Scopus subject areas

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

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