The clustering of bands in the conduction and valence bands further reflects the hybridization of molecular orbitals, indicative of strong orbital overlap between the metal center and its coordinating ligands. Such electronic structures are hallmarks of metallophilic interactions and facilitate the formation of delocalized electron clouds, which are critical for lowering resistive losses in catalytic processes. The high DOS in these complexes ensures that electrons can move freely within the lattice or coordination sphere, making them exemplary candidates for electrochemical applications.