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Updated: Mar 17, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2 (.)
A M Buytendyk1, A M Buonaugurio1, S-J Xu1
1Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218, USA.
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.
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