Binetti, Marcello; Weiße, Olaf; Hasselbrink, Eckart; Katz, Gil; Kosloff, Ronnie; Zeiri, Yehuda:
The Role of Nonadiabatic Pathways and Molecular Rotations in the Oxygen Abstraction Reaction on the Al(111) Surface
2003
In: Chemical Physics Letters, Jg. 373 (2003), Heft 3,4, S. 366 - 371
Artikel/Aufsatz in Zeitschrift2003Chemie
Fakultät für Chemie » Physikalische Chemie
Titel:
The Role of Nonadiabatic Pathways and Molecular Rotations in the Oxygen Abstraction Reaction on the Al(111) Surface
Autor(in):
Binetti, Marcello; Weiße, Olaf; Hasselbrink, EckartLSF; Katz, Gil; Kosloff, Ronnie; Zeiri, Yehuda
Erscheinungsjahr
2003
DOI:

Abstract:

The adsorption dynamics of O₂ on Al(1 1 1) has been studied exptl. using mol. beams and laser spectroscopy as well as theor. using a multi-dimensional multi-electronic surfaces model. Expts. find that: (i) abstractive chemisorption is operative at all translational energies; (ii) it increases markedly with translational energy; and (iii) rotational excitation of the mols. suppresses the abstraction process. The model calcns. semi-quant. reproduce the exptl. findings and demonstrate that: (i) a nonadiabatic description is necessary to reproduce the exptl. results and that (ii) the rotational hindrance is due to a restricted cone of acceptance in direction of the surface normal.