124
Y. Tsuji et al.
Fig. 18 Isosurface plots of the cluster-model MOs, in which the σ CH orbital interacts with Ir s
d orbital in an in-phase manner
Fig. 19 a COOP curve calculated for the C atom of methane and the Ir atom on the surface. The
C–Ir COOP profile is decomposed into the contributions from the interaction between C s 2p z and
Ir s 5d z2 orbitals (b) and the one between C s 2p z and Ir s 6p z orbitals (c)
Y. Tsuji et al.
Fig. 18 Isosurface plots of the cluster-model MOs, in which the σ CH orbital interacts with Ir s
d orbital in an in-phase manner
Fig. 19 a COOP curve calculated for the C atom of methane and the Ir atom on the surface. The
C–Ir COOP profile is decomposed into the contributions from the interaction between C s 2p z and
Ir s 5d z2 orbitals (b) and the one between C s 2p z and Ir s 6p z orbitals (c)