Synthesis and Structure of Ag_3PSe_4

The title compound Ag3PSe4 was synthesized by the reaction of Ag powder,P2Se5 and Se in a molar ratio of 1:1:1 at 500℃ and structurally characterized by X-ray crystallography.The crystal belongs to orthorhombic,space group Pmn21 with cell parameters:a=7.689(4),b=6.660(3),c=6.379(4)A,V=326.7(3)A^3,Z=2,Dc=6.816g/cm^3,Mr=670.42,F(000)=584,μ=31.302mm^-1,R=0.0606,wR=0.1289 and S=1.012,The 3-D structure can be regarded as constructed from the stacking of puckered Ag-P-Se honeycomb-like sheets along the c direction,in which the Ag,P and Se atoms are bonded to each other to form a chair-like six-membered ring,and the rings then build the sheets by sharing edges.     

{[Gd(DMF)_3(DMSO)(H_2O)_3](μ-CN)[Fe(CN)_5]}·2H_2O的合成,结构表征和磁性(英文)

0IntroductionThefirstmolecule鄄basedmagnetswerereportedin1986[1].Duringthelasttwodecades,moreandmoreattentionhasbeenpaidtothesynthesisofmolecule鄄basedmagnets,especiallytoPrussianBlueanalogu鄄es[2].TheoldPrussianBlueanalogueshavebeenbroughtuptodateduetoth…     

Magnetic,Photoluminescent and Semiconductive Properties of a Novel 4f-5d Bromide Compound (La6HgsBr26) [4(HgBr2)l (2Br)

An unprecedented 4f-5d material(La6Hg5Br26)[4(HgBr2)](2Br)(1)was syn-thesized by hydrothermal reactions and structurally characterized by single-crystal X-ray diffraction method.Complex 1 crystallizes in the Pbam space group of orthorhombic system with a=13.0980(10),b=13.6650(9),c=28.010(2)?,V=5013.4(6)?^3,Br36Hg9La6,Mr=5515.53,Z=2,Dc=3.613 g/cm^3,μ(MoKα)=29.457 mm^–1 and F(000)=4598.Compound 1 is characteristic of a two-dimensional(2D)layered structure.The photoluminescent measurements with solid-state samples reveal that compound 1 has a strong emission in the green region of light spectrum.It has remarkable CIE chromaticity coordinates of(0.2499,0.3589).A wide optical band gap of 3.41 eV is discovered by the solid-state UV/vis diffuse reflectance spectrum.The variable-temperature magnetic susceptibility obeys the Curie-Weiss law(cm=c/(T–q))with C=2.48 K and a negative Weiss constantθ=–169.07 K as revealed by the magnetic measurements,indicating the existence of an antiferromagnetic interaction in compound 1.     

Synthesis and Crystal Structur of (4,4′-H_2bipy)[CdBr_4]·H_2O

The title compound (4,4′-H2bipy)[CdBr4]·H2O 1 has been synthesized via hydrothermal reaction and characterized by X-ray diffraction. The crystal belongs to monoclinic,space group P21/c with a=8.260(3),b=23.926(7),c=9.774(2),β=106.777(9)o,C10H12Br4CdN2O,Mr=608.26,V=1849.4(9)3,Z=4,Dc=2.185 g/cm3,S=1.005,μ(MoKα) =9.814 mm–1,F(000)=1128,R=0.0646 and wR=0.0989. The crystal structure analysis of 1 reveals that the title compound features an isolated structure,based on discrete 4,4′-H2bipy moieties and lattice water molecules which are linked by hydrogen bonds together with tetra-hedral cadmium atoms terminally coordinated by four bromine atoms.     

一种新颖的二维4f-3d-5d多金属-异烟酸配合物的合成、晶体结构和磁性研究

通过水热方法合成了一种新颖的异金属金属-异烟酸无机-有机杂化体[Zn0.5(H2O)]{(Hg2Cl5)[Er(C6NO2H4)3(H2O)2]}(HgCl2)·0.5CH3OH·0.5H2O (1)并对其进行了单晶X-射线衍射结构表征。该化合物是首例4f-3d-5d多金属-异烟酸配合物。化合物1属于单斜晶系C2/c空间群,每个单胞中有8个分子,晶体学参数为：a = 34.165(4) Å,b = 9.4692(8) Å,c = 24.575(3) Å,β = 115.090(5)°,V = 7200(1) Å3,C18.50H21Cl7ErHg3N3O10Zn0.50,Mr = 1495.25,Dc = 2.759 g/cm3,T = 293(2) K,μ(MoKα) = 15.954 mm-1,F(000) = 5400, R1/wR2 = 0.0561/0.0909,共有6468个独立衍射点,其中[I > 2σ(I)]的有3157个。该化合物具有新颖的二维{(Hg2Cl5)[Er(C6NO2H4)3(H2O)2]}层状结构,由Hg2Cl5–连接[Er(C6NO2H4)3(H2O)2]链形成。该二维层和氯化汞及结晶水之间通过氢键形成三维结构,甲醇分子和水合锌离子位于该三维结构的空隙中。对化合物1的磁性测试显示该化合物具有反铁磁作用。     

Synthesis and Structural Characterization of a Cyano-bridged Dinuclear Neodymium(III)-iron(III) Complex [Nd(DMSO)5(H2O)2](μ-CN)[Fe(CN)5]

A new neodymiumIII-ironIII complex [Nd(DMSO)5(H2O)2](μ-CN)[Fe(CN)5] (DMSO = dimethyl sulfoxide) has been synthesized by the grinding reaction method. The crystal belongs to monoclinic, space group P21/m with a = 8.859(4), b = 13.684(5), c = 12.290(4) A, β = 91.85(2)o, C16H34FeN6NdO7S5, Mr = 782.88, V = 1489(1)A3, Z = 2, Dc = 1.746 g/cm3, S = 0.906, μ(MoKα) = 2.606 mm-1, F(000) = 788, R = 0.0646 and wR = 0.1654. The slightly distorted square-antiprism eightfold-coordinated Nd(III) and approximately oriented octahedrally sixfold- coordinated Fe(III) are linked by a cyano-bridge group to construct a dinuclear compound. The [Nd(DMSO)5(H2O)2](μ-CN)[Fe(CN)5] species are held together via hydrogen bonds to form a three-dimensional framework.     

Solvothermal Synthesis and Crystal Structure of [H2N（CH2）2NH3]{Co[H2N（CH2）2NH2]3}[SbSe4]

1 INTRODUCTION The chalcogenidometallates with open frame- works have attracted considerable interest as pos- sible zeolite-like materials, of which highly interes- ting properties could be expected. Over the last de- cades a large number of thioanti…     

{[Gd(DMF)3(DMSO)(H2O)3](μ-CN)[Fe(CN)5]}·2H2O的合成，结构表征和磁性

A new cyano-bridged Gadolinium^Ⅲ-Iron^Ⅲ complex {[Gd(DMF)₃(DMSO)(H₂O)₃](μ-CN)[Fe(CN)₅]}·2H₂O (DMF=N,N-dimethylformamide; DMSO=dimethylsulfoxide) was synthesized by the grinding reaction method. It crysta-llizes in the triclinic, space group P1 with cell parameters: a=0.90363(2) nm, b=1.250 78(3) nm, c=1.41303(1) nm, α=93.174(1)°, β=94.406(1)°, γ=91.817(2)°, and V=1.588 87(5) nm³, D_c=1.582 g·cm^-3, Z=2, M_r=756.72, F(000)=760, μ=2.645 mm^-1. The slightly distorted square-antiprism eightfold-coordinated Gd(Ⅲ) and the approxi-mately oriented octahedrally sixfold-coordinated Fe(Ⅲ) are linked by a cyano-bridge group to construct a dinuclear compound. The {[Gd(DMF)₃(DMSO)(H₂O)₃](μ-CN)[Fe(CN)₅]} species are held together via hydrogen bonds to form a three-dimensional framework. The Gd(Ⅲ)-Fe(Ⅲ) interaction is antiferromagnetic. CCDC: 223430.     

Preparation,Structure, Photoluminescence and Energy Transfer Mechanism of a Novel Holmium Complex

A novel holmium complex [Ho(HIA)_2(H_2O)_4(NO_3)](NO_3)_2(1, HIA = isonicotinic acid) has been synthesized through hydrothermal reactions and characterized by single-crystal X-ray diffraction. Complex 1 crystallizes in the C2/c space group of monoclinic system: a = 14.4797(7), b = 12.4768(2), c = 13.3471(5) ?, β = 118.690(4)°, V = 2115.26(13) ?~3, C_(12)H_(16)HoN_5O_(17), Mr = 667.23, Z = 4, Dc = 2.095 g/cm~3, μ(Mo Kα) = 3.838 mm~(–1) and F(000) = 1304. The crystal structure of 1 is characterized by an isolated structure. Solid-state photoluminescence experiment uncovers that it shows yellow light emission. The emission bands are originated from the characteristic emission of the 4 f electrons intrashell transition of the ~5S_2 → ~5I_8 and ~5F_5 → ~5I_8 of the Ho~(3+) ions. Energy transfer mechanism is explained by the energy level diagram of the Ho3+ ion and the isonicotinic acid ligand. It has remarkable CIE chromaticity coordinates of(0.4929, 0.4632), so it may be a promising color converter for lighting and displays.     

[N-ethyl-4,4'-bipyridinium][ZnX_4](X = Cl or Br) with N-ethyl-4,4'-bipyridinium Generated In Situ:Syntheses,Structures, Fluorescence and TDDFT Calculations

Two new zinc bipyridinium compounds, [N-ethyl-4,4′-bipyridinium][ZnX4](X = Cl(1) or Br(2)) with N-ethyl-4,4′-bipyridinium generated in situ, have been synthesized through solvothermal reactions and structurally characterized by single-crystal X-ray diffraction analyses. Both compounds are isostructural and crystallize in the P21/c space group of monoclinic system. Compound 1: a = 8.4397(5), b = 21.988(1), c = 8.8777(5) , β = 106.490(1)°, V = 1579.7(2) 3, C12H15Cl4N2 Zn, Mr = 394.43, Z = 4, Dc = 1.658 g/cm3, S = 1.068, μ(MoKα) = 2.218 mm-1, F(000) = 796, R = 0.0295 and wR = 0.0766. Compound 2: a = 8.4154(6), b = 22.844(2), c = 9.0308(7) , β = 106.026(1)°, V = 1668.6(2) 3, C12H15Br4N2 Zn, Mr = 572.27, Z = 4, Dc = 2.278 g/cm3, S = 1.033, μ(MoKα) = 11.038 mm-1, F(000) = 1084, R = 0.0427 and wR = 0.1175. Both of them are characteristic of an isolated structure with the zinc atoms locating at a tetrahedral environment. In both compounds, the N-ethyl-4,4′-bipyridinium2+ cations and ZnX42– anions interconnect together via hydrogen bonding interactions to construct a three-dimensional(3-D) supramolecular framework. Fluorescent studies reveal that both compounds exhibit a strong emission in the green region. In combination with the theoretical calculations, we can draw a conclusion that the emissions should result from ligand-toligand charge-transfer(LLCT) transition.