INVESTIGADORES
PRONSATO Maria Estela
artículos
Título:
The adsorption of methylcyclopentane on Pt(1 1 1)
Autor/es:
G. BRIZUELA; S. SIMONETTI; M. E. PRONSATO; A. JUAN
Revista:
SURFACE SCIENCE
Editorial:
Elsevier B. V
Referencias:
Año: 2004 vol. 556 p. 11 - 21
ISSN:
0039-6028
Resumen:
The adsorption of methylcyclopentane (MCP) on Pt(1 1 1) has been studied using the atom superposition and electron delocalization (ASED-MO) molecular orbital method. Results show a weak interaction with the metallic surface. The adsorption energy is rather independent of the adsorption site coordination number. We find that Pt 6s, 6pz and 5d2 z orbitals are involved in the bonding with MCP. There is no bonding between the carbon ring and the Pt surface and the interaction comes from the hydrogen atoms to the surface.
