title: A new heteroleptic cuprous complex with strong yellow photoluminescence.
abstract: In the title heteroleptic cuprous complex, (acetonitrile-κN)({2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane-κ(2)P,P')[2-(pyridin-4-yl-κN)-1,3-benzoxazole]copper(I) hexafluoridophosphate, [Cu(C(36)H(28)OP(2))(CH(3)CN)(C(12)H(8)N(2)O)]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).
authors.affiliation: College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, People's Republic of China.
authors.forename: Kaijie
authors.initials: K
authors.lastname: Xu
authors.affiliation: College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, People's Republic of China.
authors.forename: Mingwei
authors.initials: M
authors.lastname: Hong
authors.affiliation: College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, People's Republic of China.
authors.forename: Yicheng
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Department of Chemistry, Key Laboratory of Advanced Textile Materials and Manufacturing Technology of Education Ministry, Zhejiang Sci-Tech University, Hangzhou 310018, People's Republic of China.
authors.forename: Li
authors.initials: L
authors.lastname: Song
authors.affiliation: College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, People's Republic of China.
authors.forename: Wenxiang
authors.initials: W
authors.lastname: Chai
mesh_terms: D001583:Benzoxazoles / Q000737:chemistry*; D056831:Coordination Complexes / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008024:Ligands; D049449:Luminescence; D015394:Molecular Structure; D011725:Pyridines / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: C000593279:2-(pyridin-4-yl)-1,3-benzoxazole; D001583:Benzoxazoles; D056831:Coordination Complexes; D008024:Ligands; D011725:Pyridines; D003300:Copper
keywords: OLED technology; crystal structure; heteroleptic cuprous complex; metal-to-ligand charge transfer (MLCT); photoluminescence properties; thermal stability properties; yellow photoluminescence