Synthesis and Crystal Structure of the Mixed-quadriligand Bismuth Complex [Bi(S_2CNEt_2)_2(NO_3)]·[1,10-Phen]

The mixed-quadriligand bismuth complex [Bi(S2CNEt2)2(NO3)]?[1,10-Phen] has been synthesized, and its crystal structure was determined by X-ray single-crystal diffraction. The crystal belongs to monoclinic, space group P21/n with a = 10.074(17), b = 15.05(2), c = 18.99(3) ?, β = 98.85(3)o, V = 2845(8) ?3, Z = 4, F(000) = 1464, Dc = 1.746 g/cm3, μ = 6.523 mm-1, R = 0.0333 and wR = 0.0703. In this complex, the bismuth atom is eight-coordinated in a capped distorted pentagonal bipyramidal geometry.

Synthesis and Crystal Structure of Novel Dimer of Bismuth(Ⅲ) Complex with Dithiotetrahydropyrrolocarbamate: [Bi(S_2CNC_4H_8)_2(NO_3)]_2

A novel dimer of the bismuth(Ⅲ) complex with dithiotetrahydropyrrolocarbamate, [Bi(S_2CNC_4H_8)_2·(NO_3)]_2, was synthesized and the crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to a monoclinic system with space group P2_1/n, a=0.64718(13) nm, b=2.6738(6) nm, c=1.0423(2) nm, β=106.384(3)°, Z=4, V=1.730(3) nm^3, D_c=2.163 g/cm^3, μ=10.682 mm^(-1), F(000)=1072, R=0.0329, wR=0.0659. The structure shows a distorted pentagonal bipyramidal configuration with the seven-coordinated central Bi atom. In the crystal, the molecular packing in the unit cell reveals that the two adjacent molecules are symmetrically linked each other in the dimer by virtue of a couple of Bi-S interaction.

Synthesis,Properties and Crystal Structure of a New Bismuth Oxalate:Na(C_5NH_6)[Bi(H_2O)(C_2O_4)_2]_2·4H_2O

A new bismuth oxalate Na（C5NH6）[Bi（H2O）（C2O4）2]2·4H2O has been obtained under hydrothermal conditions and characterized by X-ray diffraction. It crystallizes in monoclinic, space group C2/m with a = 12.020（5）, b = 11.190（8）, c = 11.067（10）A, β= 121.78（2）°, NaBi2C13NH18O22, Mr= 981.24, V = 1265.4（16） A^3, Z = 2, Dc = 2.575 g/cm^3,μ（MoKcr） = 14.005 mm^-1, F（000） = 912, R = 0.0179 and wR = 0.0394. In the structure, the Bi（III） centers are interconnected by oxalate ligands to produce honeycomb-like layers, which are further pillared by bridging ligand oxalate molecules to form a 3-D open-framework structure. Furthermore, the title compound exhibits blue luminescence with the emission peaks located at 394nm in the solid state at room temperature, and thus it could be useful in the field of photoactive materials.

Synthesis, Crystal Structure and DNA-binding Property of Bismuth(Ⅲ) Complex with p-Hydroxy-phenylacetic Acid

A bismuth（Ⅲ） complex 1 （H2-4,4＇-bipy）[Bi（HPPA）5]（H2PPA）.4H2O （H2PPA = p- hydroxy- phenylacetic acid, 4,4＇-bipy = 4,4＂-bipyridyl） was hydrothermally synthesized from p-hydroxy-phenylacetic acid （H2PPA）, Bi（NO3）3＂6H20 and 4,4＇-bipyridyl, and characterized by elemental analysis, IR, molar conductivity and TG. The single-crystal X-ray diffraction studies demonstrated that the complex is of monoclinic system, space group P21 with a = 10.928（7）, b = 22.558（7）, c = 11.313（7） A, β = 91.864（4）°, V = 2787.7（4） A3, Z = 2, C58H61BiN2O22, Mr = 1347.07, F（000） = 1364, Dc= 1.605 g/cm-3, p（MoKa） = 3.247 mm-1, the final R = 0.0269 and wR = 0.0540 for 9776 observed reflections with I 〉 2or（I）. The bismuth（I/I） is seven-coordinated with O atoms, forming a monocapped octahedral geometry. Complex 1 further forms a 3D supramolecular architecture by hydrogen bonds and π-π stacking interactions. Moreover, the interaction between the complex and DNA was studied by EtBr fluoescent probe.

Synthesis, Crystal Structure and Antibacterial Activity of Dibenzyl Dithiocarbamate Bismuth Complex

A new complex, {Bi(Ⅲ)[S2CN(CH2C6H5)2]3}2·2CH3CN, was synthesized and characterized by elemental analysis, IR, TG, 1H NMR and X-ray single-crystal diffraction. The complex crystallizes in the triclinic system, space group P1, with a = 12.705(6), b = 13.430(6), c = 15.489(12) , α = 102.135(12), β = 99.649(12), γ = 111.521(9)°, Z = 1, V = 2315(2) A3, Dc = 1.531 g·cm-3, F(000) = 1068, μ = 4.116 mm-1, the final R = 0.0559, w R = 0.1069 and S =1.056. The coordinated geometry of Bi(Ⅲ) with six sulfur atoms from three ligands is a distorted pentagonal pyramidal configuration, and the structural system is formed by weak interactions of Bi···S between two molecules. The complex was valued for its antibacterial activity by agar-streak method. It was found that the complex is weakly active against three of the five tested bacterial organisms.

Synthesis and Characterization of a Bismuth Incorporating Heptamolybdate:(NH_4)_4[HMo_7O_(24)Bi(H_2O)_2C_5H_3N(CO_2)_2]·7H_2O

A new one-dimensional molecule based on the linkage of [Mo7024] clusters and [BiL] （L = pyridine-2,6-dicarboxylic acid） assembles under ambient conditions. The title compound was characterized by X-ray powder diffraction, IR and UV spectra, thermogravimetric analysis, and single-crystal X-ray diffraction. Crystal data： C7H38BiMo7N5037, Mr = 1664.95, monoclinic, space group C2/c, a = 24.312（2）, b = 21.4869（18）, c = 18.5423（16） A, β = 111.6490（10）°, V = 9002.9（13） A3, Z = 8, μ = 5.883 mm-1, F（000） = 6304, GOF = 1.045, R = 0.0365 and wR = 0.1062.

Synthesis and Crystal Structure of the Heteropolymate Compound Na_3H_2[Ce_3(H_2O)_(18)Bi_2W_(22)O_(76)]·23H_2O

A Bi(Ⅲ) contained heteropolymate compound Na3H2[Ce3(H2O)18Bi2W22O76] 23H2O 1 has been synthesized. It crystallizes in the triclinic system, space group P1 with a = 14.370(3), b = 17.113(3), c = 24.764(5) , = 74.33(3), = 77.20(3), ?= 65.29(3), V = 5285.3(18) 3, Z = 2, Mr = 6908.66, Dc = 4.341 g/cm3, F(000) = 6042, m(MoKa) = 28.543 mm-1, R = 0.0604 and wR = 0.1659 for 15788 reflections with I > 2(I). The structure analysis revealed that in the anionic framework of the title compound the [Bi2W22O76]14- anions are connected by Ce3+ and Na+ cations into a three dimensional network.

Synthesis and Crystal Structure of Bi(Hsal)_3(1,10-phenanthroline)(Hsal=O_2CC_6H_4-2-OH)

A new bismuth compound Bi（Hsal）3（1,10-phenanthroline） （Hsal = O2CC6H4-2-OH） has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1, with a = 10.243（2）, b = 11.905（3）, c = 12.934（3） A, α= 76.780（6）, β= 68.683（6）,γ= 80.930（7）°, V = 1425.6（5） A^3, Dc = 1.865 g/cm^3, Mr = 800.51, F（000） = 780, μ= 6.247 mm^-1, Z = 2, R = 0.0456 and wR = 0.1131 for 5612 observed reflections （I 〉 2σ（I））. In this compound, three salicylate ligands coordinate to the Bi atom through the carboxylate groups to form a four-membered chelate ring, and phenanthroline ligand chelates the metal through two N atoms. The structure of the title compound manifests a possible coordination mode between bismuth subsalicylate and N atom containing amino acid in the biological system.

Synthesis, Properties and Crystal Structure of a Novel Coordinated Polymer:{(H_2en)(H_3O)[(BiPb(C_2O_4)_4(H_2O)_2)]·2(H_2O)}_n

A novel oxalate compound {(H2en)(H3O)[BiPb(C2O4)4(H2O)2]?2(H2O)}n 1 (en = ethylenediamine) containing lead and bismuth has been synthesized by hydrothermal methods, and structurally characterized by X-ray single-crystal diffraction. It crystallizes in monoclinic, space group P21/c with a = 11.6160(1), b = 12.7426(1), c = 15.5683(5) ?, β = 108.442(4)o, BiPbC10N2O21H21, Mr = 921.46, V = 2186.0(4) ?3, Z = 4, Dc = 2.800 g/cm3, F(000) = 1712 and μ(MoKα) = 15.837 mm-1. The final R = 0.0502 and wR = 0.1261 for 3391 observed reflections with I > 2σ(I). The title com- pound consists of 2-D polyanions and protonized organic amine cations, and they are combined to each other by static attractive force and H-bonds to form the so-called organic-inorganic hybrid material.

Fault-Tolerant Resolvability of Certain Crystal Structures

An ordered set W of vertices of a graph G is called a resolving set, if all the vertices of G are uniquely determined by the vector of distances to the vertices in W. The metric dimension of G is the minimum cardinality of a resolving set of G. A resolving set W for G is fault-tolerant if W\{v} is also a resolving set, for each v in W, and the fault-tolerant metric dimension of G is the minimum cardinality of such a set. In this paper we determine the metric dimension and fault-tolerant metric dimension problems for the graphs of certain crystal structures.

Synthesis and Crystal Structure of Bismuth（Ⅲ） Complexes Bi（1,10-phen）[S2CN（CH3）2]2（NO3）, {Bi（S2COCH3）[S2CNC6Hs（CH3）]2}2 and [Bi（S2CNBu2）2（CH3OH）（NO3）]∞

Three bismuth（Ⅲ） complexes Bi（1,10-phen）[S2CN（CH3）2]2（NO3） （1）, {Bi（S2COCH3）[S2CNC6Hs（CH3）]2}2 （2） and [Bi（S2CNBu2）2（CH3OH）（NO3）]∞ （3） were synthesized and characterized by elemental analysis and IR spectra. Their crystal structures were determined by X-ray single crystal diffraction analysis. Studies show that complex 1 has a monomeric structure with the central bismuth atom eight-coordinated in a capped distorted pentagonal bipyramidal geometry. The complex 2 takes centrosymmetric dimeric structure and the bismuth atoms are seven-coordinated in distorted pentagonal bipyramidal geometry.In complex 3, the bismuth atoms are seven-coordinated in distorted pentagonal bipyramidal geometry by bridging nitrate O atoms and the resulting structure is onedimensional infinite chain polymer.

Bismuth(Ⅲ) Complexes with N,N-Di(2-hydroxylethyl)amino-dithiocarboxylate: Synthesis and Crystal Structure of {Bi[S_2CN(C_2H_4OH)_2]_2[1,10-Phen]_2(NO_3)}·3H_2O and {Bi[S_2CN(C_2H_4OH)_2]_3}_2

Two novel one- and two-dimensional network structure bismuth(III) complexes with N,N-di(2-hydroxylethyl)- aminodithiocarboxylate, {Bi[S2CN(C2H4OH)2]2[1,10-Phen]2(NO3)}3H2O (1) and {Bi[S2CN(C2H4OH)2]3}2 (2) were synthesized. Their crystal and molecular structures were determined by X-ray single crystal diffraction analysis. The crystal 1 belongs to monoclinic system with space group C2/c, a=1.6431(7) nm, b=2.4323(10) nm, c=1.2646(5) nm, =126.237(5)o, Z=4, V=4.076(3) nm3, Dc=1.757 Mg/m3, =4.598 mm-1, F(000)=2156, R=0.0211, wR=0.0369. The structure shows a distorted square antiprism configuration with eight-coordination for the central Bi atom. The one-dimensional chain structure was formed by H-bonding interaction between hydroxyl group of N,N-di(2-hydroxylethyl)aminodithiocarboxylate ligands and crystal water. The crystal 2 belongs to monoclinic system with space group P2(1)/c, a=1.1149(4) nm, b=2.1274(8) nm, c=2.2107(8) nm, =98.325(8), Z=4, V=5.188(3) nm3, Dc=1.920 Mg/m3, =7.315 mm-1, F(000)=2944, R=0.0565, wR=0.0772. The structure shows a distorted square antiprism configuration with eight-coordination for the central Bi atoms. The two-dimensional network structure was formed by H-bonding interaction between adjacent molecules.

A Novel 2D Architecture from Bismuth and Flexible Ligand N,N'-Diacetic Acid Imidazolium Chloride

A new compound {[Bi（trans-DAM）（cis-DAM）（H2O）]NO3·H2O}n 1 derived from bismuth and the flexible ligand N,N＇-diacetic acid imidazolium chloride （H2DAMCl） was obtained by hydrothermal synthesis and characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic P21/c space group with a = 9.2298（18）, b = 13.339（3）, c = 17.090（3） , β = 105.38（2）°, V = 2028.7（7）A^3, Z = 4, C14H18N5O13Bi, Mr = 673.31, Dc = 2.204 g/cm^3, F（000） = 1296, μ = 8.772 mm-1, the final R = 0.0472 and wR = 0.1441 for 4129 observed reflections （I 〉 2σ（I））. In 1, the carboxylic groups from DAM- ligands adopt a cheating mode to link bismuth ions to form a 2D sheet network. These sheets are further connected by hydrogen bonding interactions to give an interesting 3D supramolecular framework. 2D correlation analysis of IR of 1 with thermal and magnetic perturbation was introduced to ascertain the characteristic adsorption of the groups overlapped in the 1D IR spectrum. Additionally, compound 1 exhibits fluorescent emission at room temperature.

Syntheses,Crystal Structures and Antibacterial Activities of Complexes [(C_9H_(18)NS_2)_3M(Ⅲ)](M = Sb and Bi)

Two novel complexes,[（C9H18NS2）3Sb（III）]（1） and [（C9H18NS2）3Bi（III）]（2）,were synthesized and characterized by elemental analysis,IR,TG and X-ray single-crystal diffraction.Both 1 and 2 crystallize in the monoclinic system,P21/c space group.The data for 1：a = 1.6964（3）,b = 1.02149（17）,c = 2.5650（3） nm,β = 121.824（8）°,Z = 4,V = 3.7766（10） nm^3,Dc = 1.293 g·cm^-3,F（000） = 1536,μ = 1.082 mm^-1,the final R = 0.0500,wR = 0.1562 and S =1.072.The data for 2：a = 1.6802（9）,b = 1.0256（6）,c = 2.5083（10） nm,β = 121.77（3）°,Z = 4,V = 3.675（3） nm^3,Dc = 1.486 g·cm^-3,F（000） = 1664,μ = 5.159 mm^-1,the final R = 0.0481,wR = 0.1055 and S =1.076.The coordinated geometry of the central M（III） with six sulfur atoms from three ligands is a distorted pentagonal pyramid configuration.The dimer structural system is formed by the weak interactions of M…S and C-H…S between two molecules.The complexes were valued for their antibacterial activities by agar-streak method.It was found that 1 is active against the four test bacterial organisms.

Synthesis, Crystal Structure and Magnetic Property of Sanwich-Type Heteropolyoxometalate Na_9[{Na(H_2O)_2}_3{Cu(H_2O)}_3(BiW_9O_(33))_2]·42H_2O

The heteropolytungstate Na9[{Na(H2O)2}3{Cu(H2O)}3(BiW9O33)2]?2H2O is obtained by the reaction of Na2WO4·2H2O, Bi(NO3)3·5H2O with CuCl2·2H2O at pH≈6. The structure and chemical composition are de-termined by X-ray diffraction analysis and elemental analysis. The crystal data and main structure refinement are: a=1.410(3) nm, b=2.338(5) nm, c=3.173(6) nm, =98.06(4)? V=10.354(35) nm3, monoclinic crystal system, space group: C2/c, Z=4, R1=0.0471, wR2=0.0642 [I>2(I)], R1=0.1371, wR2=0.0868 (all data). [{Na(H2O)2}3{Cu(H2O)}3W9O33)2]9- has D3h symmetry. IR, UV-vis spectra, TG curve and magnetic property of the complex were also discussed. The compound exhibits an antiferromagnetic coupling with J=-8.08 cm-1 and g=2.21.

Investigation on bismuth-oxide photonic crystal fiber for optical parametric amplification

A hexagonal solid-core bismuth-oxide micro-structure fiber is developed to balance its dispersion and nonlinearity.This simulation and calculation results show that the bismuth-oxide photonic crystal fiber(Bi-PCF) has near zero dispersion around 1550 nm.Its dispersion slop in the communication wavelength range is also relatively flat.Moreover,both nonlinear coefficient and model field distribution are obtained.Compared with the experimental results by SiO2-PCF,it can be seen that the Bi-PCF shows excellent characteristics for the optical parametric amplification(OPA).

Polymeric architectures of bismuth citrate based on dimeric building blocks

Four bismuth complexes, (H2En)[Bi2(cit)2(H2O)4/3]·(H2O)x (1), (H2En)3[Bi2(cit)2Cl4]·(H2O)x (2), (HPy)2[Bi2(cit)2(H2O)8/5]·(H2O)x (3) and (H2En)[Bi2(cit)2](H2O)x (4) [cit = citrate4-; En = ethylenediamine; Py = pyridine] have been synthesized and crystallized. The crystal structures reveal that the basic building blocks in all of these complexes are bismuth citrate dimeric units which combine to form polymeric architectures. The embedded protonated ethylenediamine and pyridine moieties in the polymeric frameworks have been identified by X-ray crystallography and solid-state cross polarization/magic angle spinning (CP/MAS) 13C NMR. Based on the framework of complex 1, a structural model of a clinically used antiulcer drug, ranitidine bismuth citrate (RBC) was generated. The behavior of the protonated amine-bismuth citrate complexes in acidic aqueous solution has been studied by electrospray ionization-mass spectrometry (ESI-MS).

Syntheses，Structures and Properties of Some New Composition Perovskite Compounds：Sr0．6Bi0．4FeO2．7，Sr1－xBixFeO3－y and Ba1．5Pt0．5Mn2O6

New composition perovskite-type compounds with formula Sr0.6Bi0.4FeO2.7,Sr1-xBixFeO3-y(x=0.1 to 0. 9 in interveral of 0.1),and Ba1.5Pt0.5Mn2O6 have been synthsized and structurally characterized.The crystal structure of Sr0.6Bi0.4FeO2.7has been determined by X-ray single crystal diffraction,and the data of neutron powder diffraction collected at both room temperature and elevated temperature(380℃).The compound Sr0.6Bi0.4FeO2.7 crystallizes in the cubic space group of Pm3m with Z=1,a=3.9330(6) at room temperature,a=3.9498(6)A at 380℃.The magnetic structure from the neutron powder diffraction data collected at room temperature is consistent with a simple G-type antiferromagnetism and has a magnetic moment of 4.98 μB per Fe atom.The structures of Sr1-xBixFeO3-y with x other than 0.4 were also refined from the X-ray powder diffraction data.The data were consistent with a tetragonal cell when x=0.1,a rhombohedral cell when x= 0.9,and a cubic cell for x=0.2～0.8.From single crystal X-ray diffraction data,Ba1.5Pt0.5Mn2O6 crystallizes in hexagonal space group of P63mc with a= 5.7722 (6),c=4.4504(9),V=128.42(2),Z=1.The Sr(1-x)BixFeO(3-y)are found to be a good electronic and ionic conductor.

回流法可控合成BiPO_4纳米棒及其光催化性能

采用回流法合成了BiPO4纳米棒光催化剂,探讨了反应时间、反应物比例、pH值和反应物浓度对BiPO4晶相结构和形貌尺寸的影响,利用粉末X射线衍射(XRD)、透射电镜(TEM)、比表面积分析(BET)和紫外-可见漫反射光谱(UV-VisDRS)等对产物进行了表征,以亚甲基蓝(MB)为探针研究了其光催化活性.反应时间和反应物浓度对产物的形貌尺寸影响较大,反应物比例和pH值对产物晶相结构和形貌尺寸均有较大的影响,进一步影响BiPO4光催化剂的活性.调控各种因素后可合成出具有单斜相独居石/六方相混晶结构的高紫外光活性BiPO4纳米棒光催化剂.

二羟乙基二硫代氨基甲酸铋配合物的合成,晶体结构及杀菌活性

铋具有一系列的特殊性质,特别是铋的无毒性与不致癌性使铋具有特殊用途.铋化合物在医学中更是有特别的应用,铋药剂具有收敛,止泄,防腐作用,可吸附毒素,对细菌,病毒乃至锥虫及螺旋体等有极好的抑制与杀灭活性[1,2].在广泛使用的农用杀菌剂中,以二硫代氨基甲酸盐类及其类似物最为有效.鉴于铋在经济上与环境上有农用的可能性[3],而铋配合物的合成研究报道很少[4],我们将二者结合,合成了一种水溶性好,且有因配位后协同效应而增效的杀菌剂(Bi2(deadtc)6配合物A),并希望能制备该杀菌剂以水为溶剂的绿色环保水乳剂型.本文报道该配合物的合成,杀菌活性及晶体结构.