Electronic Communication within Flexible Bisdithiolene Ligands Bridging Molybdenum Centers

Bimetallic molybdenum dithiolene complexes involving two flexible ditopic conjugated linkers have been synthesized and characterized by electrochemistry, spectroelectrochemistry, and single crystal X-ray diffraction. The electrochemical investigations evidence that the two metallic bisdithiolene moieties are electronically coupled in the monocationic state. DFT and TDDFT calculations further suggest that the intervalence charge transfer within both monocations is essentially localized on the ligand and can be described as an intraligand charge transfer (ILCT).