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A new iodiplumbate polymer [(AOD)(Pb2I6)]n 1 (AOD = O-protonated 4-azonia-7-oxaspiro(4,5) decane quaternary ammonium) was synthesized by self-assembly reaction of AOD·I, Pb(NO3)2 and NaI, and structurally determined. Compound 1 crystallizes in the hexagonal system, space group P3, with a = 18.2704(8), c = 8.1663(6) , V = 2360.8(2) 3, Z = 3, Dc = 2.783 g/cm3, F(000) = 1686, C8H17I6NOPb2, Mr = 1319.03, μ(MoKα) = 16.562 mm-1, the final R = 0.0535 and wR = 0.1793 for 4943 observed reflections with I > 2σ(I). In compound 1, three independent (Pb2I6)2-n infinite chains in each unit cell shape the sketch of compound 1 under the template of AOD-H2+ cation. Each (Pb2I6)2-n chain generates from the face-sharing of distorted PbI6 octahedra. (Pb2I6)2-n polyanions interact with AOD-H2+ cations by electrostatic interaction in the crystal to feature a so-called hybrid structure. Compound 1 was further characterized with IR, elemental analysis, fluorescence spectrum and thermal analysis. Based on the crystal structure data, DFT calculation was carried out to reveal the electronic structure of compound 1.
A new iodiplumbate polymer [(AOD) (Pb2I6)] n 1 (AOD = O-protonated 4-azonia- 7-oxaspiro (4,5) decane quaternary ammonium was synthesized by self- NO3) 2 and NaI, and structurally determined. Compound 1 crystallizes in the hexagonal system, space group P3, with a = 18.2704 (8), c = 8.1663 , The final R = 0.0535 and wR = 0.1793 for 4943 at reflections with I> 2σ (I), D = 2.783 g / cm3, F000 = 1686, C8H17I6NOPb2, Mr = 1319.03, μ (MoKα) = 16.562 mm-1 Each element (Pb2I6) 2-n chain generates from the face-sharing of distorted PbI6 octahedra. (Pb2I6) 2-n polyanions interact with AOD-H2 + cations by electrostatic interaction in the crystal to feature a so-called hybrid structure. Compound 1 was further characterized with IR, elemental analysis, fluorescence spectrum and thermal analysis. Bas ed on the crystal structure data, DFT calculation was carried out to reveal the electronic structure of compound 1.