The adsorption of methylciclopentane on Pt (111)

G. BRIZUELA; S. SIMONETTI; E. PRONSATO; A. JUAN

Surface Science

Año: 2004 vol. 556 p. 11 - 21

The adsorption of methylcyclopentane (MCP) on Pt(111) 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 5dz2 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.