Formation of hybrid electronic states in FePc chains mediated by the Au(110) surface

Molecular self-organisation is a viable strategy for producing new nanoscale devices. By combining experimental results and density functional theory calculations we studied the self-assembling of ordered molecular chains of Fe–phthalocyanines on Au(110). This molecular architecture results from a surface selftemplating effect, yielding a molecular-induced reconstruction of the Au surface and the rehybridization of the molecular electronic states localized on the metallic center. These effects are explained on the basis of surface thermodynamics and symmetry breaking of the molecular states.