Collect. Czech. Chem. Commun. 1990, 55, 1896-1906

Topological study of the chemisorption of N2 on (112) stepped surfaces of Pt and Ir

Jiří Pancíř, Ivana Haslingerová and Klára Kašová

The J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences, 182 23 Prague 8


Interaction of N2 molecule with stepped (112) Ir and Pt surfaces has been studied by a quantum chemical topological method. The adsorption of N2 takes place preferentially in top bound configurations. The reactivity of the N2 molecule chemisorbed on the studied (112) surfaces of Pt can be expected to be increased for electrophilic reagents, while chemisorption of N2 molecules on the studied Ir surfaces apparently does not affect their reactivity.