Electronic structure of polymeric μμ-cyclopentadienyl–indium complexes

The electronic structures of oligomeric and polymeric μμ-cyclopentadienyl (Cp)–indium complexes were examined by tight-binding band calculations. On the basis of the band structures, we discuss the delocalization of electrons along the axis of the polymer chain. In order to discuss the application of this polymeric complex to nano/molecular electronic devices, it is important to consider its interaction with a metal electrode. Therefore, we also examined the electronic structures of an oligomeric Cp–In complex adsorbed on a metal slab (Pt or Au).