Sequential addition of H2O, CH3OH, and NH3 to Al3O3-: a theoretical study.
Photoelectron spectra of two species, Al3O3(H2O)2- and Al3O3(CH3OH)2-, that are produced by the addition of two water or methanol molecules to Al3O3- are interpreted with density-functional geometry optimizations and electron propagator calculations of vertical electron detachment energies. In both cases, there is only one isomer that is responsible for the observed spectral features. A high barrier to the addition of a second molecule may impede the formation of Al3O3N2H6- clusters in an analogous experiment with NH3.
Guevara-García
Alfredo
A
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior sin número, Ciudad Universitaria, P.O. Box 70-360, Coyoacán, 04510 Distrito Federal, México. aagg13@gmail.com
Martínez
Ana
A
Ortiz
J V
JV