Cu(I) coordination complex with TTF-based radical cation ligand

A single crystal of a dimeric Cu(I) complex with the mono-functionalized TTF derivative, [(CET-EDTTTF)CuBr2]2 (CET-EDTTTF = 4-(cyanoethylthio)-4′,5′-(ethylenedithio)tetrathiafulvalene), was prepared through the slow-diffusion of CET-EDTTTF and Cu(I)Br, and characterized by X-ray structure analysis and EPR spectroscopy. Detailed structural and EPR investigations revealed that the neutral CET-EDTTTF ligand is oxidized to its radical cation during complexation. Two [CET-EDTTTF]radical dot+ ligands are facing each other through short intermolecular S⋯S contacts forming a linear chain structure.