The adsorption of methycyclopentane on Pt(111)

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

SURFACE SCIENCE

Elsevier

Lugar: AMSTERDAM, NETHERLANDS; Año: 2004 p. 11 - 21

0039-6028

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, 6p(z) and 5d(z)(2) 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.