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

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

doi:10.1063/1.1573174

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

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

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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 language	English (US)
Pages (from-to)	10541-10546
Number of pages	6
Journal	Journal of Chemical Physics
Volume	118
Issue number	23
DOIs	https://doi.org/10.1063/1.1573174
State	Published - Jun 15 2003

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1573174

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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.",

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AU - Adamowicz, Ludwik

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Y1 - 2003/6/15

N2 - 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.

AB - 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.

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

Abstract

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