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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 P, with a = 9.850(2), b = 11.564(2), c = 16.111(3) , α = 104.64(3), β = 105.73(3), γ = 94.37(3)o, V = 1688.3(7) 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 > 2((I). 1 consists of uncoordinated structure-directing molecule and inorganic moiety tuned by organic SDA. Tetrameric Ag4I84- anion in 1 is composed of edge- sharing 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.
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 (3), β = 105.73 (3), γ = 94.37 (3) o, V = 1688.3 (3), a = 9.850 (2), b = 11.564 (7) 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 Viewed reflections with I> 2 ((I). 1 consists of uncoordinated structure-directing molecule and inorganic moiety tuned by organic SDA. Tetrameric Ag4I84- anion in 1 is composed of edge- sharing 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 calcul. with the DFT method was used to reveal the electronic structure and optical property of 1.