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, Ludwik Adamowicz

Research output: Contribution to journalArticle

9 Citations (Scopus)

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

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indoles
Photoelectrons
Anions
photoelectrons
dipoles
anions
detachment
Electrons
Water
water
indole
electrons
vibration
Molecules
molecules

ASJC Scopus subject areas

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

Cite this

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

Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2 - . / Buytendyk, A. M.; Buonaugurio, A. M.; Xu, S. J.; Nilles, J. M.; Bowen, K. H.; Kirnosov, N.; Adamowicz, Ludwik.

In: Journal of Chemical Physics, Vol. 145, No. 2, 024301, 14.07.2016.

Research output: Contribution to journalArticle

Buytendyk AM, Buonaugurio AM, Xu SJ, Nilles JM, Bowen KH, Kirnosov N et al. Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2 - Journal of Chemical Physics. 2016 Jul 14;145(2). 024301. https://doi.org/10.1063/1.4954937
Buytendyk, A. M. ; Buonaugurio, A. M. ; Xu, S. J. ; Nilles, J. M. ; Bowen, K. H. ; Kirnosov, N. ; Adamowicz, Ludwik. / Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2 - In: Journal of Chemical Physics. 2016 ; Vol. 145, No. 2.
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