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Title: Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H{sub 2}O){sub 1,2}{sup −}

Abstract

We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H{sub 2}O){sub 1,2}{sup −}. 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(H{sub 2}O){sub 1}{sup −} and indole(H{sub 2}O){sub 2}{sup −} are 144 meV and 251 meV, respectively. The corresponding theoretically determined VDE values for indole(H{sub 2}O){sub 1}{sup −} and indole(H{sub 2}O){sub 2}{sup −} 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.

Authors:
; ; ; ;  [1];  [2];  [3]
  1. Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218 (United States)
  2. Department of Physics, University of Arizona, Tucson, Arizona 85721 (United States)
  3. Departments of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721 (United States)
Publication Date:
OSTI Identifier:
22675965
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 145; Journal Issue: 2; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANIONS; CALCULATION METHODS; COMPUTER CALCULATIONS; ELECTRON DETACHMENT; INDOLES; PHOTOELECTRON SPECTROSCOPY

Citation Formats

Buytendyk, A. M., Buonaugurio, A. M., Xu, S.-J., Nilles, J. M., Bowen, K. H., Kirnosov, N., and Adamowicz, L.. Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H{sub 2}O){sub 1,2}{sup −}. United States: N. p., 2016. Web. doi:10.1063/1.4954937.
Buytendyk, A. M., Buonaugurio, A. M., Xu, S.-J., Nilles, J. M., Bowen, K. H., Kirnosov, N., & Adamowicz, L.. Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H{sub 2}O){sub 1,2}{sup −}. United States. doi:10.1063/1.4954937.
Buytendyk, A. M., Buonaugurio, A. M., Xu, S.-J., Nilles, J. M., Bowen, K. H., Kirnosov, N., and Adamowicz, L.. Thu . "Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H{sub 2}O){sub 1,2}{sup −}". United States. doi:10.1063/1.4954937.
@article{osti_22675965,
title = {Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H{sub 2}O){sub 1,2}{sup −}},
author = {Buytendyk, A. M. and Buonaugurio, A. M. and Xu, S.-J. and Nilles, J. M. and Bowen, K. H. and Kirnosov, N. and Adamowicz, L.},
abstractNote = {We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H{sub 2}O){sub 1,2}{sup −}. 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(H{sub 2}O){sub 1}{sup −} and indole(H{sub 2}O){sub 2}{sup −} are 144 meV and 251 meV, respectively. The corresponding theoretically determined VDE values for indole(H{sub 2}O){sub 1}{sup −} and indole(H{sub 2}O){sub 2}{sup −} 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.},
doi = {10.1063/1.4954937},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 2,
volume = 145,
place = {United States},
year = {2016},
month = {7}
}