Isomerism of the anion of the indole-water dimer. Ab initio study

Abraham F. Jalbout, Caitlin S. Hall, Ludwik Adamowicz

Research output: Contribution to journalArticle

3 Scopus citations

Abstract

An interesting configuration isomerism of the indole-(water) anion was revealed via calculations. Two local minima were predicted to exist on the anion potential energy surface. The first corresponds to a DB anion that was already described in previous calculations, and the second corresponds to a system where the excess electron is suspended between the indole and water molecules. The two peaks were assigned to the dipole-bound anion and AISE.

Original languageEnglish (US)
Pages (from-to)10541-10546
Number of pages6
JournalJournal of Chemical Physics
Volume118
Issue number23
DOIs
StatePublished - Jun 15 2003

ASJC Scopus subject areas

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

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