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Published on: April 23, 2017
A novel luminescent ionic trinuclear Cu3I2 cluster cuprous complex supported by a P^N ligand: synthesis, structure
Qiu Meng Zhu1, Li Song2, Wen Xiang Chai1
1College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, People's Republic of China.
Abstract:
Luminescent cuprous complexes are an important class of coordination compounds due to their relative abundance, low cost and ability to display excellent luminescence. The title ionic trinuclear Cu3I2 complex, tris[μ2-diphenyl(pyridin-2-yl)phosphane-κ2P:N]di-μ3-iodido-tricopper(I)(3 Cu-Cu) hexafluoridophosphate, [Cu3I2(C39H32NP)3]PF6, conventionally abbreviated as [Cu3I2(Ph2PPy)3]PF6, is described. Each CuI atom is coordinated by two μ3-iodide ligands and by a P and an N atom from two Ph2PPy ligands, giving rise to a CuI2PN tetrahedral coordination geometry about each CuI centre. The electronic absorption and photoluminescence properties of this trinuclear cluster have been studied on as-synthesized samples, which had been examined previously by powder X-ray diffraction. A detailed time-dependent density functional theory (TD-DFT) study was carried out and showed a green emission derived from a halide-to-ligand charge transfer and metal-to-ligand charge transfer 3(X+M)LCT excited state.
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