A new heteroleptic cuprous complex with strong yellow photoluminescence

In the title heteroleptic cuprous complex, (acetonitrile‐κN)({2‐2‐(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane‐κ²P,P′)2‐(pyridin‐4‐yl‐κN)‐1,3‐benzoxazole]copper(I) hexafluoridophosphate, Cu(C₃₆H₂₈OP₂)(CH₃CN)(C₁₂H₈N₂O)]PF₆, conventionally abbreviated Cu(POP)(CH₃CN)(4‐PBO)]PF₆, where POP is the diphosphane ligand {2‐2‐(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane and 4‐PBO is the N‐containing ligand 2‐(pyridin‐4‐yl)‐1,3‐benzoxazole, the asymmetric unit consists of a hexafluoridophosphate anion and a whole mononuclear cation, where the Cu^I centre is coordinated by two P atoms from the POP ligand, by one N atom from the 4‐PBO ligand and by the N atom of the coordinated acetonitrile molecule, giving rise to a CuP₂N₂ distorted tetrahedral coordination geometry. The electronic absorption, photoluminescence and thermal stability properties of this complex have been studied on as‐synthesized samples, which had previously been examined by powder X‐ray diffraction. A yellow emission signal is attributed to an excited state arising from metal‐to‐ligand charge transfer (MLCT).