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Electron binding energies and Dyson orbitals of Al5Om- (m=3,4,5) and Al5O5H2-
Authors:Guevara-García Alfredo  Martínez Ana  Ortiz J V
Institution:Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior Sin Número, Ciudad Umversitaria, P.O. Box 70-360 Coyoacán, 04510 Distrito Federal, Mexico.
Abstract:Photoelectron spectra of Al(5)O(m)(-) (m=3-5) and of the anion produced by the dissociative adsorption of a water molecule by Al(5)O(4)(-) are interpreted with density-functional geometry optimizations and electron-propagator calculations of vertical electron detachment energies. For Al(5)O(3)(-), Al(5)O(4)(-), and Al(5)O(5)H(2)(-), the observed signals may be attributed to the most stable isomer of each anion. For Al(5)O(5)(-), the features in the photoelectron spectrum are due to three almost isoenergetic isomers.
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