A silver iodide, （ipq）4Ag418 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, spa...A silver iodide, （ipq）4Ag418 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 PT, 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）o, V= 1688.3（7） A^3, Z = 2, D,= 2.205 g/cm^3, F（000） = 1042, C28H33Ag2l4N2, Mr= 1120.90, μ（MoKa） = 4.836 mm^-1, the final R = 0.0363 and wR = 0.0761 for 5465 observed reflections with 1 〉 2σ（I）. 1 consists of uncoordinated structure-directing molecule and inorganic moiety tuned by organic SDA. Tetrameric Ag4I8^4- anion in 1 is composed of edgesharing AgI4 tetrahedra and AgI3 planar triangles. Electrostatic interaction between organic counter cations and inorgan!c 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 DFr method was used to reveal the electronic structure and optical property of 1.展开更多
文摘A silver iodide, （ipq）4Ag418 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 PT, 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）o, V= 1688.3（7） A^3, Z = 2, D,= 2.205 g/cm^3, F（000） = 1042, C28H33Ag2l4N2, Mr= 1120.90, μ（MoKa） = 4.836 mm^-1, the final R = 0.0363 and wR = 0.0761 for 5465 observed reflections with 1 〉 2σ（I）. 1 consists of uncoordinated structure-directing molecule and inorganic moiety tuned by organic SDA. Tetrameric Ag4I8^4- anion in 1 is composed of edgesharing AgI4 tetrahedra and AgI3 planar triangles. Electrostatic interaction between organic counter cations and inorgan!c 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 DFr method was used to reveal the electronic structure and optical property of 1.
