A mercury pnictide halide semiconductor Hg19As10Br18(1) has been prepared by the solid-state reaction and structurally characterized by single-crystal X-ray diffraction analysis.Compound 1 crystallizes in triclinic,space group P with a = 11.262(4),b = 11.352(4),c = 12.309(5) ,α = 105.724(2),β = 105.788(4),γ = 109.0780(10)° and V = 1314.3(8) 3.The structure of 1 is composed of parallel perovskite-like layers bridged by the linearly coordinated Br atoms to form a three-dimensional framework.The optical properties were investigated in terms of the diffuse reflectance spectrum.The electronic band structure along with density of states(DOS) calculated by DFT method indicates that compound 1 is a semiconductor with an indirect band gap,and that the optical absorption is mainly originated from the charge transitions from Br-4p and As-4p to the Hg-6s states.
A new cerium complex, (C7H8)[Ce(C7H3NO5)2(H2O)3]·2H2O or (C7Hs)[Ce(HChel)2· (H2O)3]·2H2O (1, H3Chel = 4-hydroxypyridine-2,6-dicarboxylic (chelidamic) acid), has been prepared by the hydrothermal reaction, and its crystal structure was determined based on single-crystal diffraction data. Compound I crystallizes in monoclinic, space group P21/c with a = 12.4267(9), b = 10.8195(7), c = 19.5650(13)A, β = 92.898(3)°, V = 2627.2(3) A^3, Dc = 1.733 g/cm^3, Z = 4, Mr = 685.55, μ = 1.809 mm^-1, λ(MoKa) = 0.71073A and F(000) = 1372. The final R = 0.0455 and wR = 0.1984 for 5983 observed reflections with I 〉 2σ(I), and R = 0.0490 and wR = 0.2053 for all data. Complex 1 contains one cerium ion, two chelidamic acid ligands, three coordinated water molecules, one discrete toluene molecule, and two discrete water molecules. The Ce(IV) ion is nine-coordinate with the coordination polyhedron made up of four oxygen atoms and two nitrogen atoms from two tridentate chelating chelidamic acid ligands, and three coordinated water molecules. A three-dimensional network is formed by the H-bonds. Moreover, optical properties are investigated and the results show that this complex has sharp optical absorption at 221,396 and 571 nm but no marked fluorescent emission.