Crystal Structure and Properties of [PrCl(H_2O)_3(L)(HL)]_nnCl(HL=3-Hydroxy-2-methylquinoline-4-carboxylic acid) with One-dimensional Chains

A novel praseodymium complex [PrCl(H_2O)_3(L)(HL)]_nnCl(1, HL = 3-hydroxy-2-methylquinoline-4-carboxylic acid) has been synthesized through hydrothermal reactions and characterized by single-crystal X-ray diffraction. Complex 1 crystallizes in P2_1 space group of the monoclinic system, with a = 7.3146(2), b = 9.3963(3), c = 17.4872(5) ?, β = 96.818(3)°, V = 1193.40(6) ?~3, C_(22)H_(23)Cl_2N_2O_9Pr, M_r = 671.23, Z = 2, D_c = 1.868 g/cm^3, μ(MoKα) = 2.322 mm^(-1) and F(000) = 668. The praseodymium ion is surrounded by seven oxygen atoms and one chlorine atom to yield a slightly distorted square antiprism. Complex 1 is characterized by a one-dimensional chain-like structure. A two-dimensional supramolecular layer is formed via hydrogen-bonding interactions. Solid-state photoluminescence spectrum reveals that it shows red emission. The emission bands are ascribed to the characteristic emission of the 4 f electron transitions of ~3P_0 → ~3H_J(J = 5 and 6) and ~3P_0 → ~3F_4 of Pr^(3+) ions. Solid-state UV/Vis diffuse reflectance spectroscopy exhibits that it has an optical band gap of 2.75 eV.

Hydrothermal Synthesis,Crystal Structure and Spectroscopic Investigations of [Y(C_6NO_2H_5)_3(H_2O)_2]_n(1.5nZnCl_4)·nH_2O with Unprecedented Polycationic Chains

A new heterometallic 4f-3d complex [Y（C6NO2H5）3（H2O）2]n（1.5nZnCl4）·nH2O（1）, was synthesized via a hydrothermal reaction and structurally characterized. Complex 1 crystallized in the monoclinic system with space group P21/c： a=0.94847（9） nm, b=2.0947（2） nm, c=1.6001（2） nm, β=104.467（2）°, V=3.0781（5） nm3, Mr=823.04, Dc=1.776 g/cm3, S=1.009, μ（Mo Kα）=3.603 mm-1, F（000）=1632, R=0.0787, and wR=0.2273. Complex 1, with four formula units in a cell, was characteristic of a one-dimensional polycationic chain-like structure. Photoluminescent investigation showed that the title complex displayed a strong emission in the blue region, which was attributed to the intraligand π-π＊ transition of the nicotinic ligands. Optical absorption spectrum of complex 1 revealed the presence of a wide optical bandgap of 4.17 eV.

Synthesis, Structure, Fluorescence and TDDFT Calculations of [CdBr2(imidazole)]_n

A new one-dimensional （l-D） compound [CdBr2（imidazole）], （1） has been synthesized via a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the Pna21 space group of orthorhombic system with a = 11.299（2）, b = 15.598（3）, c = 3.9293（6） A, V = 692.5（2） A3, CaH4Br2CdN2, Mr = 340.30, Z = 4, Dc = 3.264 g/cm3, S = 1.004, /l（MoKa） = 14.588 mm＂1, F（000） = 616, R = 0.0412 and wR = 0.1286. Compound 1 is characteristic of an infinite 1-D double chain structure with the cadmium atoms locating at an octahedral environment. The double chains interconnect together via hydrogen bonding interactions to yield a 3-D supramolecular framework. Fluorescent investigation reveals that the title compound displays an emission in the purple region. Theoretical investigation reveals that the emission is mainly ascribed to ligand-to-metal charge transfer （LMCT）, accompanied with minor ligand-to-ligand charge transfer （LLCT）.

Syntheses and Crystal Structures of Two New Metal Phosphonates:[Mn(H_2O)_2(C_(12)H_8N_2)(HO_3PCH_2CH_2CO_2)] and [Co(H_2O)_4(C_(10)H_8N_2)]·(HO_3PCH_2CH_2CO_2)

By the reactions of manganese（if） acetate, 2-sulfoethylphosphonic acid, 1,10-phen （1,10-phen = 1, 10-phenanthroline） or cobalt（Ⅱ） acetate, 4,4＇-bipy and 2-carboxyethylphosphonic acid, two novel compounds of [Mn（H2O）2（C12H8N2） （HO3PCH2CH2CO2） ] （1） and[Co（H2O）4（C10H8N2）]-（HOaPCH2CH2CO2） （2） have been synthesized and characterized by IR spectroscopy, elemental analyses and single-crystal X-ray diffraction. Compound 1 has a 0D structure. Two Mn（ii） ions are linked by two 2-carboxyethylphosphonic acid ligands, forming a centrosymmetric dimer. These dimers are further interlinked into a 2D layer structure by π-π stacking interactions and hydrogen bonds. Compound 2 has a 1D chain structure. The 2-carboxyethylphosphonic acid remains uncoordinated and acts as the organic template. By the bridge of 4,4＇-bipy, the [Co（4,4＇-bipy）]^2＋ chains are formed.

Synthesis and Crystal Structure of a Novel Compound:[Nd_3(OH)_7(O_2CC_6H_4SO_3)(H_2O)]_n·nH_2O with a Pillar-layered Structure

A novel Nd（Ⅲ） compound,[Nd3（OH）7（O2CC6H4SO3）（H2O）]n·nH2O 1,has been synthesized by the hydrothermal reaction of Nd2O3 and 3-sulfobenzoic acid monosodium salt. It was characterized by IR spectroscopy,elemental analysis,thermogravimetric analysis and single-crystal X-ray diffraction. It crystallizes in monoclinic,space group P21/c with a = 13.024（3）,b = 10.961（2）,c = 12.792（3） ,β = 91.271（3）°,V = 1825.6（7） 3,Z = 4,Mr = 787.97,Dc = 2.867 g/cm3,μ = 8.584 mm-1,F（000） = 1460,S = 1.035,R = 0.0442 and wR = 0.1166 （I 〉 2σ（I））. In this compound,the cross-linkage of Nd atoms by bridging hydroxy groups results in a Nd-O inorganic 〈200〉 layer,and such layers are linked by the 3-O3S-C6H4-CO2 dianions into a pillar-layered structure. The lattice water molecules are located in the cavity.

Facile Fabrication of Fe3O4@TiO2@C Yolk–Shell Spheres as Anode Material for Lithium Ion Batteries

Transition metal oxides have been actively exploited for application in lithium ion batteries due to their facile synthesis,high specific capacity,and environmental-friendly.In this paper,Fe3O4@TiO2@C yolk-shell(Y-S)spheres,used as anode material for lithium ion batteries,were successfully fabricated by Stober method.XRD patterns reveal that Fe3O4@TiO2@C Y-S spheres possess a good crystallinity.But the diffraction peaks’intensity of Fe3O4 crystals in the composites is much weaker than that of bare Fe3O4 spheres,indicating that the outer anatase TiO2@C layer can cover up the diffraction peaks of inner Fe3O4 spheres.The yolk-shell structure of Fe3O4@TiO2@C spheres is further characterized by TEM,HAADFSTEM,and EDS mapping.The yolk-shell structure is good for improving the cycling stability of the inner Fe3O4 spheres during lithium ions insertion-extraction processes.When tested at 200 mA/g,the Fe3O4@TiO2@C Y-S spheres can provide a stable discharge capacity of 450 mAh/g over 100 cycles,which is much better than that of bare Fe3O4 spheres and TiO2@C spheres.Furthermore,cyclic voltammetry curves show that the composites have a good cycling stability compared to bare Fe3O4 spheres.

Crystallographic Characterization of Lu_(2)O@C_(s)(6)-C_(82)and Er_(2)O@C_(s)(6)-C_(82):The Role of Metal Species on Cluster Configuration

Comprehensive Summary Intramolecular interactions are fundamental for the unique structures and outstanding properties of metallofullerenes.However,how the internal metal species interplay with the cluster configuration inside oxide clusterfullerenes remains poorly understood.Herein,we successfully captured two oxide clusterfullerenes with different metals,namely,Lu_(2)O@C_(82)and Er_(2)O@C_(82),to elucidate the role of metal species in tuning cluster configuration.The two molecules have been fully characterized by mass spectrometry,Vis-NIR absorption spectroscopy,cyclic voltammetry,and single-crystal X-ray diffraction.

Preparation,Structure,Fluorescence,Semiconductor Properties and TDDFT Calculation of a Mononuclear Zinc Complex with Mixed Ligands

A novel zinc complex[ZnL(bipy)(H2O)]×H2O with mixed ligands of 3-hydroxy-2-methylquinoline-4-carboxylic acid(HL)and bipy(bipy=2,2'-bipyridine)was synthesized by solvothermal reaction and its crystal structure was determined by single-crystal X-ray diffraction technique.The title compound crystallizes in the orthorhombic system of Pbca space group,and exists as an isolated mononuclear complex.The intermolecular hydrogen bonds and strongπ…πstacking interactions form a three-dimensional(3-D)supramolecular network.Solid-state photoluminescence spectrum reveals that it shows an emission in the blue region of the light spectrum.Time-dependent density functional theory(TDDFT)calculations reveal that this emission can be attributed to ligand-to-ligand charge transfer(LLCT).Solid-state diffuse reflectance data show that there is a narrow optical band gap of 1.83 eV.

Hydrothermal Preparation and Photophysical Properties of a Ni(Ⅱ) Complex Containing Quinoline Derivative and Phen Ligands

A novel nickel complex[Ni_(2)L_(2)Phen_(3)]·3H_(2)O (HL=3-hydroxy-2-methylquioline-4-carboxylic acid)has been synthesized by a hydrothermal approach and is structurally determined by single-crystal X-ray diffraction.The title complex crystallizes in triclinic space group P1.Crystal data for the title complex:C58H44N8Ni2O9,Mr=1108.35,a=11.8648(4),b=12.7369(4),c=17.0728(5)A,α=97.694(3),β=96.702(2),γ=99.566(3)°,V=2495.66(14)A^(3),Z=2,T=293(2) K,Dc=1.475 g/cm^(3),μ(Mo Kα)=0.824 mm^(–1),F(000)=1140,R=0.0757,w R=0.2129 and GOF=1.017.The nickel ions are surrounded by five oxygen and six nitrogen atoms to yield two slightly distorted octahedral geometries.Solid-state photoluminescence spectrum reveals that it shows blue purple emission.Solid-state UV/Vis diffuse reflectance spectroscopy exhibits that it has an optical band gap of 1.702 e V.

Ionothermal synthesis of AlPO-34 membranes on macroporous α-Al_(2)O_(3) supports without using organic template

Continuous and compact AlPO-34 molecular sieve membranes were successfully synthesized on the outer surface of macroprous tubeα-Al_(2)O_(3)supports under secondary ionothermal growth with the proposed wetting seed layer.The recyclable ionic liquids(ILs)can both act as solvent media and the structure-directing agent(SDA)of the aiming topological structure of CHA,largely reducing the wastewater.Wetting the seed layer could accelerate the diffusion of ILs to the surface of the support and further increase the binding force between the membrane and the support.Compared with the open system,the closed system led to the achievement of the high-quality AlPO-34 membrane.The H_(2)permeance of the resulting membrane was 9.74×10^(-8)mol m^(-2)s^(-1)Pa^(-1)and the ideal selectivities of H_(2)/CO_(2),H_(2)/N_(2),H_(2)/CH_(4),H_(2)/C3H8 and H_(2)/i-C4H10 were 7.48,8.54,14.67,39.25 and 65.83,respectively,which were higher than Knudsen diffusion ratios.The obtained membrane was firstly explored for the PV dehydration of isopropyl alcohol(90 wt%)/water mixtures,exhibiting good performance with the separation factor of 147 and high water flux of 1.09 kg m^(-2)h^(-1).