Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2-

A. M. Buytendyk, A. M. Buonaugurio, S. J. Xu, J. M. Nilles, K. H. Bowen, N. Kirnosov, L. Adamowicz

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9 Scopus citations

Abstract

We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H2O)1,2-. The photoelectron spectra of both cluster anions show the characteristics of dipole-bound anions, and this is confirmed by our theoretical computations. The experimentally determined vertical electron detachment (VDE) energies for indole(H2O)1- and indole(H2O)2- are 144 meV and 251 meV, respectively. The corresponding theoretically determined VDE values for indole(H2O)1- and indole(H2O)2- are 124 meV and 255 meV, respectively. The vibrational features in the photoelectron spectra of these cluster anions are assigned as the vibrations of the water molecule.

Original languageEnglish (US)
Article number024301
JournalJournal of Chemical Physics
Volume145
Issue number2
DOIs
StatePublished - Jul 14 2016

ASJC Scopus subject areas

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

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    Buytendyk, A. M., Buonaugurio, A. M., Xu, S. J., Nilles, J. M., Bowen, K. H., Kirnosov, N., & Adamowicz, L. (2016). Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2-. Journal of Chemical Physics, 145(2), [024301]. https://doi.org/10.1063/1.4954937