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

doi:10.1063/1.4954937

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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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 language	English (US)
Article number	024301
Journal	Journal of Chemical Physics
Volume	145
Issue number	2
DOIs	https://doi.org/10.1063/1.4954937
State	Published - Jul 14 2016

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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@article{81642eed2b9d4e7f8658b9b1a3e1579c,

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

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.",

author = "Buytendyk, {A. M.} and Buonaugurio, {A. M.} and Xu, {S. J.} and Nilles, {J. M.} and Bowen, {K. H.} and N. Kirnosov and L. Adamowicz",

note = "Funding Information: The experimental part of the material in this paper is based on work supported by the National Science Foundation under Grant No. CHE-1360692 (K.H.B.). Publisher Copyright: {\textcopyright} 2016 Author(s).",

year = "2016",

month = jul,

day = "14",

doi = "10.1063/1.4954937",

language = "English (US)",

volume = "145",

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T1 - Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2-

AU - Buytendyk, A. M.

AU - Buonaugurio, A. M.

AU - Xu, S. J.

AU - Nilles, J. M.

AU - Bowen, K. H.

AU - Kirnosov, N.

AU - Adamowicz, L.

N1 - Funding Information: The experimental part of the material in this paper is based on work supported by the National Science Foundation under Grant No. CHE-1360692 (K.H.B.). Publisher Copyright: © 2016 Author(s).

PY - 2016/7/14

Y1 - 2016/7/14

N2 - 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.

AB - 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.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 2

M1 - 024301

ER -

Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H₂O)_1,2^-

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