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A new low-dimensional benzyl viologen/iodoargentate hybrid, [(BV)2(Ag5I9)] n ( 1) (BV2+ = benzyl viologen) was prepared. In 1, (Ag6I9) n2- chain exhibits a new type of one-dimensional chain constructed from vertex-sharing of Ag5I10 units, and its two-dimensional layer structure was constructed from C-H ···I hydrogen bonds. Strong luminescence at 404 nm can be detected in 1. DFT calculation suggests that 1 displays a reduced bandgap, which is led by a more dispersed LUMO band of BV2+ compared with MV2+ in [ MV(Ag2I4)] n. [ABSTRACT FROM AUTHOR]

Abstract: Three new haloplumbates(II)/aromatic N-heterocyclic organic hybrids, [(nmp)(PbI3)] n (nmp= N-methylpyrazine)(1), [(dhpp)(Pb2Cl6)] n (dhpp=6,12-dihydrodipyrido[1,2-a:1′,2′-d] pyrazinium)(2), [(dedp)3(Pb6I18)] n (dedp= N,N′-diethyl-4,4′-dipyridinium)(3) have been synthesized and structurally determined. These polymeric haloplumbates exhibit different model type structures, including one-dimensional linear chain (for 1), ribbonlike arrangement based on face- and edge-sharing PbX n tetragonal pyramids or octahedra (for 2 and 3), and N-heterocyclic organic cations weakly interact with inorganic haloplumbates to present 3-D supramolecular networks. Three compounds posses semiconducting properties with Eg ranging among 2.07–2.71eV. Photoluminescence and third-order nonlinear optical (NLO) activity of 3 were also discussed. [Copyright &y& Elsevier]

A new cation-induced hybrid iodoargentate, [(PIP-H2)4·(Ag4I12)·H2O]n (1) (PIP = piperazine) has been obtained by the routine synthetic reaction in DMF solution and structurally determined. 1 crystallizes in monoclinic system, space group P21/n with unit cell parameters: a = 12.718(3), b = 9.3861(19), c = 20.098(4)Å, β = 90.33(3)°, V = 2399.1(8)Å3, Z = 4, C8H24Ag2I6N4O, Mr = 1169.45, Dc = 3.238 g/cm3, F(000) = 2080, μ(MoKα) = 9.356mm-1, the final R1 = 0.0681 and wR = 0.1757 for 5255 observed reflections with I > 2σ(I). In 1, 0-D [Ag4I12]8- clusters were constructed from four vertex-sharing AgI4 tetrahedra and further linked by hydrogen bonds to give a 2-D layer. Luminescence can be detected in the title compound. Quantum chemistry calculation with DFT method was carried out to reveal its electronic structure. [ABSTRACT FROM AUTHOR]

Abstract: A hybrid iodoargentate [(APHEN-H)2(Ag4I6)] n (1) (APHEN=5-amino-1,10-phenanthroline) has been obtained by the routine synthetic reaction and structurally determined. In 1, a chain was defined by edge-sharing of Ag4I6 units, and its quasi-three-dimensional hybrid structure was constructed from π–π interactions and CI hydrogen bonds. Experimental band gap of about 2.30eV indicates its semiconductor nature. Strong luminescence can be detected in the title compound, which has been assigned by theoretical calculation with DFT method. [Copyright &y& Elsevier]

Abstract: Dark-red block-shaped crystals of the ionic compound (ipq)4[(Cu2I6)·2I2] (1) (ipq+ = N-(isopentyl)-quinolinium) were obtained by the reaction of ibq·I, CuI with I2 in polar solvent DMF. Compound 1 crystallizes in triclinic system [space group Z =2, a =10.4236(8)Å, b =12.1950(9)Å, c =15.6214(10)Å, α =95.879(2)°, β =102.174(2)° and γ =113.757(2)°]. As indicated by structural analysis, 1 is constituted by ipq+ cations, [Cu2I6]4− anions and molecular iodine [d I−I =2.8499(5)Å]. In 1, dimer Cu2I6 4− anion is composed by two edge-sharing CuI4 tetrahedra. Cu2I6 4− anions interact with I2 via strong I⋯I interaction to give [(Cu2I6)·2I2]4− clusters. Furthermore, electrostatic interactions between organic cations and inorganic clusters could be observed and contribute to the crystal packing. Finally, quantum chemistry calculation with DFT method was carried out to reveal the electronic structure of 1. [Copyright &y& Elsevier]

Abstract: In this paper, treatment of N-ethyl-benzo[f]quinolium (ebq) iodide and CuI with excess KI afforded an unusual coordination polymer [(ebq)2(Cu3I4)(CuI2)] n (1). 1 crystallizes in tetragonal system, space group P4(2)bc with cell parameters of , , , , , and . A highly interesting feature of 1 is its presence of mixed types of chains [ and chain] in one crystal lattice based on supramolecular self-assembly directed by cations. The infinite chains and in 1 could be described as the edge-sharing arrangement of CuI4 tetrahedron. Furthermore, IR, EA, UV–Vis, thermal analysis and optical limiting measurements were adopted to characterize polymer 1. The optical limiting experiment shows that the present polymer exhibits a large optical limiting capacity. [Copyright &y& Elsevier]