Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H{sub 2}O){sub 1,2}{sup −}
- Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218 (United States)
- Department of Physics, University of Arizona, Tucson, Arizona 85721 (United States)
- Departments of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721 (United States)
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.
- OSTI ID:
- 22675965
- Journal Information:
- Journal of Chemical Physics, Vol. 145, Issue 2; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
Dipole-bound excited states and resonant photoelectron imaging of phenoxide and thiophenoxide anions
Th2O–, Th2Au–, and Th2AuO1,2– Anions: Photoelectron Spectroscopic and Computational Characterization of Energetics and Bonding