【摘 要】
：
A silver iodide, (ipq)4Ag4I8 1, has been synthesized in the presence of ipq (ipq =N-(isopentyl)-quinolinium) acting as a structure-directing reagent (SDA). Comp
【机 构】
：
Center of Analysis and Measurement
论文部分内容阅读
A silver iodide, (ipq)4Ag4I8 1, has been synthesized in the presence of ipq (ipq =N-(isopentyl)-quinolinium) acting as a structure-directing reagent (SDA). Compound 1 crystallizes in the triclinic system, space group Pī, with a = 9.850(2), b = 11.564(2), c = 16.111(3) (A), α =104.64(3), β = 105.73(3), γ = 94.37(3)°, V= 1688.3(7) (A)3, Z = 2, Dc= 2.205 g/cm3, F(000) = 1042,C28H33Ag2I4N2, Mr= 1120.90,μ(MoKα) = 4.836 mm-1, the final R = 0.0363 and wR = 0.0761 for 5465 observed reflections with I ＞ 2σ(Ⅰ). 1 consists of uncoordinated structure-directing molecule and inorganic moiety tuned by organic SDA. Tetrameric Ag4I84- anion in 1 is composed of edgesharing AgI4 tetrahedra and AgI3 planar triangles. Electrostatic interaction between organic counter cations and inorganic moieties is present and contributes to the crystal packing. 1 was further characterized with IR, UV-Vis, elemental analysis and cyclic voltammetry. Based on the crystal structure data, quantum chemical calculation with DFT method was used to reveal the electronic structure and optical property of 1.
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