Mesoporous molecular sieves, NbFAPO-5 and NbFAPSO-5 were hydrothermally synthesized with AlPO-5 type structure. Characterization of these molecular sieves was performed by X-ray diffraction to determine their structur...Mesoporous molecular sieves, NbFAPO-5 and NbFAPSO-5 were hydrothermally synthesized with AlPO-5 type structure. Characterization of these molecular sieves was performed by X-ray diffraction to determine their structure, ICP-EAS for their elemental composition and infrared spectrometry to access their acidic properties. X-ray diffraction patterns confirmed well AlPO-5 type structure. ICP-EAS analysis confirmed the incorporation of silicon (12.9%), aluminium (15.4%), phosphorous (21.9%), iron (5.62%) and niobium (0.39%) into AlPO-5 framework. Infrared spectrometry analysis showed that both Bronsted and Lewis sites were found in the synthesized samples. The presence of both Bronsted and Lewis acid site led to bifunctional function of NbFAPO-5 and NbFAPSO-5 molecular sieve in promoting both oxidation and esterification reactions. NbFAPSO-5 Bronsted acidity was higher than that of NbFAPO-5 and for Lewis acidity, NbFAPO-5 was higher than that of NbFAPO-5.展开更多
Two manganese(II) coordination polymers, namely, {[Mn(PIP)(BIBP)]·(BIBP)0.5}n(1) and {[Mn(PTA)(BIMBP)(H2O)]·H2O(0.69)}n(2)(H2PIP = 5-(4-pyridyl)-isophthalic acid, H2 PTA =6-(4-pyridyl...Two manganese(II) coordination polymers, namely, {[Mn(PIP)(BIBP)]·(BIBP)0.5}n(1) and {[Mn(PTA)(BIMBP)(H2O)]·H2O(0.69)}n(2)(H2PIP = 5-(4-pyridyl)-isophthalic acid, H2 PTA =6-(4-pyridyl)-terephthalic acid, BIBP = 4,4?-bis(imidazol-1-yl)biphenyl, and BIMBP =4,4?-bis(imidazol-1-ylmethyl)biphenyl), have been synthesized by using the bifunctional pyrinde-benzene carboxylic acids and bis(imidazole) linkers as mixed ligands to react with Mn SO4,and further characterized by elemental analysis, IR, and PXRD. Compound 1 is in the triclicnic system, space group P1 with a = 10.1089(8), b = 13.1927(12), c = 14.0638(12)A, α = 69.437(2), β= 73.2890(10), γ = 78.5320(10)o, V = 1671.9(2) A^3, Z = 2, Dc = 1.449 g/cm^3, F(000) = 705,μ(MoK α) = 0.453 mm^-1, S = 1.053, R = 0.0491 and wR = 0.1367 for 5837 unique reflections(Rint =0.0208) with I 〉 2σ(I). Compound 2 belongs to the monoclicnic system, space group C2/c with a =15.199(3), b = 19.731(3), c = 21.537(5) ?, β = 105.228(3)o, V = 6232(2) A^3, Z = 8, Dc = 1.363g/cm^3, F(000) = 2648, μ(MoK α) = 0.475 mm^-1, S = 1.048, R = 0.0489 and wR = 0.1151 for 7414 unique reflections(Rint = 0.0425) with I 〉 2σ(I). Structural analyses reveal that complex 1 is a4-connected(44.62)-sql bilayer structure with binuclear [Mn2(COO)2] SBU, while complex 2 is a normally(3,5)-connected(42.67.8)(42.6)-3,5L2 monolayer. And the sheets interacted with the adjacent sheets through weak interactions, finally giving a stable three-dimensional(3D)supramolecule. Besides, the variable-temperature magnetic susceptibility measurement of complex1 was investigated.展开更多
Two new Co(Ⅱ) coordination polymers,{[Co_3(Hchda)_2(chda)_2(bpp)_2(H_2O)_2]}_n 1 and {[Co(chda)(bpe)(H_2O)]·3H_2O}_n 2(H_2chda = 1,1-cyclohexanediacetic acid,bpp = 1,3-bis(4-pyridinyl)propane ...Two new Co(Ⅱ) coordination polymers,{[Co_3(Hchda)_2(chda)_2(bpp)_2(H_2O)_2]}_n 1 and {[Co(chda)(bpe)(H_2O)]·3H_2O}_n 2(H_2chda = 1,1-cyclohexanediacetic acid,bpp = 1,3-bis(4-pyridinyl)propane and bpe = 1,2-bis(4-pyridinyl)ethylene),were hydrothermally synthesized and then characterized by elemental analysis,IR spectroscopy,thermogravimetric analysis(TGA),and single-crystal X-ray diffraction.Complex 1 possesses an infinite metal-organic layer based on triply bridged linear trinuclear subunits and complex 2 exhibits a square(4,4) grid layer with dangling lateral arms resulting from eight-membered rings above and below the layer.In addition,magnetic properties of complexes 1 and 2 are also given.展开更多
In order to improve the thermal properties of polylactic acid(PLA) filament,nano-SiO_2 was applied to mix with PLA,then they were spun as composite filament by melt-spinning.The dispersion of nano SiO_2 and the frac...In order to improve the thermal properties of polylactic acid(PLA) filament,nano-SiO_2 was applied to mix with PLA,then they were spun as composite filament by melt-spinning.The dispersion of nano SiO_2 and the fracture surfaces of filaments were studied by scanning electron microscopy(SEM).The properties of composite filament,such as orientation degree,mechanical properties,and surface friction properties,were analyzed.The thermal performances of composite filament were analyzed by differential scanning calorimetry(DSC) and thermo gravimetric analysis(TGA).The results showed that the nano-SiO_2 modified by 5% KH-550 could disperse evenly and loosely in nano-scale,and 1 wt% and 3 wt% nano-SiO_2 dispersed throughout PLA evenly.As the quantity of nano-SiO_2 increased,the properties of composite filament,such as orientation degree,friction coefficient,thermal decomposition temperature,and glass transition temperature,increased more or less.The breaking tenacity increased when 1 wt% SiO_2 was added in PLA,but declined when 3 wt% SiO_2 was added.展开更多
A novel 3D metal-organic coordination polymer with helical chains based on a flexible 5-(imidazol-1-ylmethyl)isophthalic acid(H_2L) as a main ligand and 1,2-bis(4-pyridyl)ethane(bpa) as a N-containing ancillar...A novel 3D metal-organic coordination polymer with helical chains based on a flexible 5-(imidazol-1-ylmethyl)isophthalic acid(H_2L) as a main ligand and 1,2-bis(4-pyridyl)ethane(bpa) as a N-containing ancillary ligand,[Cd L(bpa)_(0.5)]_n(1),has been obtained under hydrothermal conditions and characterized by elemental analysis,powder X-ray diffraction(PXRD),IR,thermal gravimetric analyses(TGA) and single-crystal X-ray diffraction.It crystallizes in monoclinic,space group P2_1/c with a = 10.984(2),b = 10.1829(12),c = 17.782(3) A,β = 123.156(11)o,V = 1665.1(5) A^3,Z = 4,Mr = 448.72,Dc = 1.790 g/cm^3,Rint = 0.0871,F(000) = 892,the final R = 0.0687 and w R = 0.1294 for 2920 observed reflections(I 〉 2σ(I)).In complex 1,the L^2- anions connect Cd(Ⅱ) ions to form two-dimensional metal-organic layers(Cd_2L_2)n,in which the 1D helical chains(Cd-L)_n are alternately arranged in a right-and left-handed sequence.These layers are further linked to build a 3D network by the bpa ligand.In addtion,photoluminescent properties for 1 are also investigated.展开更多
INTRODUCTIONThough potassium salts of rare earth substituted silicotungsticacids were synthesized early in 1971 by R.D.Peacock etc.,sofar the reports about the application of the corresponding acidshave not been found...INTRODUCTIONThough potassium salts of rare earth substituted silicotungsticacids were synthesized early in 1971 by R.D.Peacock etc.,sofar the reports about the application of the corresponding acidshave not been found.We prepared fourteen rare earth substitutedsilicotungstic acids and determined their thermal stability,IRabsorption Spectra and x-ray diffraction spectra.Furthermore,thecatalytic activities of the fourteen heteropoly acids in acid cata-lytic reaction were investigated.Our experimental results demonstrated rare earth substituted silico-tungstic acids have very high catalytic activity in the reaction of展开更多
A dinuclear Tb(Ⅲ) compound, Tb_2(μ_2-anthc)_4(anthc)_2(1,10-phen)_2(1, Hanthc = 9-anthracenecarboxylic acid and 1,10-phen = 1,10-phenanthroline), was synthesized under solvothermal condition and structural...A dinuclear Tb(Ⅲ) compound, Tb_2(μ_2-anthc)_4(anthc)_2(1,10-phen)_2(1, Hanthc = 9-anthracenecarboxylic acid and 1,10-phen = 1,10-phenanthroline), was synthesized under solvothermal condition and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the triclinic system, space group P1, with a = 12.5061(12), b = 13.3168(10), c = 15.0079(12) ?, α = 110.620(7), β = 102.941(7), γ = 107.036(7)o, V = 2081.8(3) ?~3, Z = 1, C_(114)H_(70)N_4O_(12)Tb_2, M_r = 2005.58, D_c = 1.600 g/cm^3, μ = 1.759 mm^(-1), F(000) = 1008, the final R = 0.0294 and w R = 0.0608 for 8900 observed reflections with I 〉 2s(I). In compound 1, two Tb(Ⅲ) ions are linked by four carboxylate groups of the bridging anthc– ligands to give a dinuclear Tb_2(μ_2-anthc)_4 unit wherein each Tb(III) ion is further capped by a terminal anthc– ligand and a 1,10-phen ligand in a chelating fashion. Detailed direct-current and alternating-current susceptibility measurements showed no slow magnetism relaxation phenomenon was observed for 1.展开更多
In our previous work, we studied the interaction of folic acid, FA, molecule with single- walled carbon nanotube and the related binding energies with other related parameters. Now, in order to extend our study with r...In our previous work, we studied the interaction of folic acid, FA, molecule with single- walled carbon nanotube and the related binding energies with other related parameters. Now, in order to extend our study with respect to the other structural properties of folic acid molecule and its thermodynamic properties, we optimized the structures of both neutral and zwitteronic forms of this molecule by using the DFT/B3LYP method in the gas phase and then in different solvents. In addition, the electronic properties, such as the molecular orbital study (HOMO, LUMO, PDOS, and TDOS) and geometrical structure, were investigated by the above-mentioned method with 6-3 l G(d) basis set. The thermodynamic properties of both neutral and zwitterionic forms of the FA molecule at different temperature have been calculated. Natural bond orbital (NBO) analysis has been done to study the stability of the molecule arising from charge delocalization.展开更多
Two new coordination polymers {[Zn(Hbtc)(bpyb)]·H2O}n(1) and {[Cd(Hbtc)-(bpyb)(1.5)]·0.5 bpyb}n(2)(H3btc = 1,3,5-benzenetricarboxylic acid, bpyb = 1,4-bis(4-pyridyl)benzene) have been synth...Two new coordination polymers {[Zn(Hbtc)(bpyb)]·H2O}n(1) and {[Cd(Hbtc)-(bpyb)(1.5)]·0.5 bpyb}n(2)(H3btc = 1,3,5-benzenetricarboxylic acid, bpyb = 1,4-bis(4-pyridyl)benzene) have been synthesized under hydrothermal conditions. The two compounds were characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction. Compound 1 displays a 2-fold interpenetrating 3D supramolecular architecture through O–H…N/O hydrogen bonds and π-π stacking interactions. Compound 2 exhibits a 2D→3D polycatenated structure, which is further stabilized by O–H…N hydrogen bonds. The results indicate that the metal ion has significant effects on the formation and structure of the resulted coordination polymers. Furthermore, thermal stability and photoluminescent properties of 1 and 2 are also discussed in detail.展开更多
A new Pb(Ⅱ) coordination polymer, [Pb(1,4-chdc)(L)]_n·nH_2O(1), was synthesized under hydrothermal condition(1,4-H2 chdc = 1,4-cyclohexanedicarboxylic acid and L = 2-(3-fluorophenyl)-1H-imidazo[4,5-f]...A new Pb(Ⅱ) coordination polymer, [Pb(1,4-chdc)(L)]_n·nH_2O(1), was synthesized under hydrothermal condition(1,4-H2 chdc = 1,4-cyclohexanedicarboxylic acid and L = 2-(3-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline). Its crystal structure was determined by singlecrystal X-ray diffraction. Compound 1 crystallizes in triclinic, space group P1 with a = 9.1182(8), b = 11.3249(10), c = 12.7326(12) A, α = 77.897(2), β = 81.644(2), γ = 84.491(2)°, V = 1269.0(2) A^3, Z = 2, C_(27)H_(24)FN_4O_5Pb, M_r = 710.69, D_c = 1.860 g/cm^3, F(000) = 690, μ(MoKa) = 6.701 mm^(-1), R = 0.0349 and wR = 0.0746. In 1, each 1,4-chdc anion bridges two neighboring Pb(Ⅱ) atoms in a bidentate chelating coordination mode to give a chain structure. The L ligands are attached on one side of the chain through chelating the Pb(Ⅱ) atoms, and are stacked with those of an adjacent chain through π-π interactions, yielding a layer structure. The O-H···O and N-H···O hydrogen bonding interactions further stabilize the supramolecular layer structure of 1. Moreover, solid state luminescent property of 1 was also studied.展开更多
A new trinuclear nickel complex,[Ni3(pdc)3(2,2'-bipy)3(H2O)2]·2H2O(H2pdc = pyridine 2,6-dicarboxylic acid,2,2'-bipy = 2,2'-bipyridine) has been hydrothermally synthesized and characterized by IR,elemen...A new trinuclear nickel complex,[Ni3(pdc)3(2,2'-bipy)3(H2O)2]·2H2O(H2pdc = pyridine 2,6-dicarboxylic acid,2,2'-bipy = 2,2'-bipyridine) has been hydrothermally synthesized and characterized by IR,elemental analysis and X-ray diffraction methods.Crystal data for this complex:monoclinic,space group P21/n,a = 21.206(4),b = 10.002(2),c = 28.066(6),β = 108.18(3)°,C51H41N9Ni3O16,Mr = 1212.06,V = 5.656(2) nm3,Dc = 1.423 g·cm-3,μ(MoKα) = 1.062 mm-1,Z = 4,F(000) = 2488,GOOF = 1.034,the final R = 0.0543 and wR = 0.1237 for 6149 observed reflections with Ⅰ 〉 2σ(Ⅰ).In the complex,three nickel(Ⅱ) ions are bridged by the pyridine 2,6-dicarboxylic acid groups,and all nickel(Ⅱ) ions are seven-coordinated by nitrogen atoms of 2,2'-bipyridine and pyridine 2,6-dicarboxylic acid and oxygen atoms from pyridine 2,6-dicarboxylic and water to adopt a severely distorted pentagonal bipyramidal geometry.The emission and excitation peaks of the complex in ethanol solutions are located at 336 and 316 nm,respectively.展开更多
Solvothermal reaction of Pb(NO3)2·6H2O with rigid linear ligand terephthalic acid(H2pta) in N,N-dimethylformamide(DMF) produced a new three-dimensional(3D) lead(Ⅱ)coordination polymer[Pb2(pta)1.5(μ...Solvothermal reaction of Pb(NO3)2·6H2O with rigid linear ligand terephthalic acid(H2pta) in N,N-dimethylformamide(DMF) produced a new three-dimensional(3D) lead(Ⅱ)coordination polymer[Pb2(pta)1.5(μ4-OH)(DMF)]n 1,and its structure was characterized by single-crystal X-ray diffraction analyses.In polymer 1,the μ4-OH bridges the nearby lead(Ⅱ) ions into an infinite one-dimensional(1D) chain,and then the organic ligand pta^2- joins the neighbored chains into a 3D structure by two similar connection modes in different configurations.The solid-state photoluminescent studies revealed that 1 exhibits a strong greenish emission mainly originating from ligand-to-metal charge transfer between the delocalized π bonds of the aromatic carboxylate ligand pta^2- and the p orbitals of the Pb^2+ centers.展开更多
Making use of N-P-acetamidobenzenesulfonyl-glycine acid (abbreviated as abglyH2),two transitional metal complexes [Zn(abglyH)(phen)2]ClO4·H2O (1) and Co(abglyH)2(bipy)2(H2O)2 (2) (phen = 1,10-phe...Making use of N-P-acetamidobenzenesulfonyl-glycine acid (abbreviated as abglyH2),two transitional metal complexes [Zn(abglyH)(phen)2]ClO4·H2O (1) and Co(abglyH)2(bipy)2(H2O)2 (2) (phen = 1,10-phenanthroline,bipy = 4,4'-bipyridine) have been synthesized under mild conditions and characterized by IR,elemental analysis and X-ray diffraction analysis. Complex 1 is a monomeric compound which is further assembled by intermolecular hydrogen bonds and π-π interaction into a 2-D supramolecular network. Complex 2 is also a monomeric compound and further connected by intermolecular hydrogen bonds to form a 2-D supramolecular network. Fluorescent analysis shows that complex 1 has an emissive maximum at 364 nm in the solution state at room temperature.展开更多
A new europium(III) complex Eu(L)3(Phen)2(1) with 2-benzoylbenzoic acid(HL) and 1,10-phenanthroline(Phen) as ligands has been synthesized. Crystal data for the complex are as follows: monoclinic, space gr...A new europium(III) complex Eu(L)3(Phen)2(1) with 2-benzoylbenzoic acid(HL) and 1,10-phenanthroline(Phen) as ligands has been synthesized. Crystal data for the complex are as follows: monoclinic, space group P21/c, a = 2.2577(4), b = 1.23484(19), c = 1.8789(3) nm, β = 94.918(3)o, V = 5.2189(14) nm^3, Dc = 1.512 g/cm^3, Z = 4, μ(Mo Kα) = 1.269 mm^-1, F(000) = 2408, the final R = 0.0433 and w R = 0.1038. The Eu(III) ion is coordinated by nine atoms to give a single-capped square antiprism coordination geometry. 1 shows two intense fluorescence emission bands arising from the transitions of Eu^3+: ^5D0→^7F1(597 nm) and ^5D0→^7F2(615 nm) with an excitation wavelength of 396 nm. In addition, 1 displays antiferromagnetic property at low temperature.展开更多
Two coordination polymers, namely [Co(5-Clnic)2(H2biim)]n 1 and {[Ni(5-Clnic)(Hbiim)]·H2O}n 2(5-Clnic H = 5-halonicotinic acid, H2 biim = 2,2ˊ-biimidazole), were assembled. Single-crystal X-ray diffrac...Two coordination polymers, namely [Co(5-Clnic)2(H2biim)]n 1 and {[Ni(5-Clnic)(Hbiim)]·H2O}n 2(5-Clnic H = 5-halonicotinic acid, H2 biim = 2,2ˊ-biimidazole), were assembled. Single-crystal X-ray diffraction studies show that compound 1 possesses a 1D chain coordination network, which is further extended into a 3D supramolecular architecture via N–H…O hydrogen bonds and π-π packing interactions. Compound 2 features a 1D chain structure based on the hexanuclear macrocycles. The adjacent 1D chains are held together into a 3D supramolecular framework via N–H…O and O–H…O hydrogen bonding interactions. Thermal stability and magnetic properties of both compounds were studied and discussed.展开更多
With the help of in-situ formed CH_3COO- anion, a pair of 3D homochiral coordination polymers with open channels were constructed by the assembly of lactic acid derivative ligands, 1.4-DIB ligands and Cd(II) ions, n...With the help of in-situ formed CH_3COO- anion, a pair of 3D homochiral coordination polymers with open channels were constructed by the assembly of lactic acid derivative ligands, 1.4-DIB ligands and Cd(II) ions, namely [Cd3((R)-CIA)2(CH3CO2)_2(1.4-DIB)2(H2O)2]·x(Guest)(1-D) and [Cd3((S)-CIA)2(CH3CO2)2(1.4-DIB)2(H2O)2]·x(Guest)(1-L). They contain 1D interesting ladder-like Cd-(R)-CIA(3-) chains and exhibit SHG-active behavior and photoluminescent property.展开更多
Fibrous brucite,a kind of brucite with unique structure and physical properties,was modified with stearic acid as a surface modifier.In order to investigate the mechanism of surface modification,the fixation of steari...Fibrous brucite,a kind of brucite with unique structure and physical properties,was modified with stearic acid as a surface modifier.In order to investigate the mechanism of surface modification,the fixation of stearic acid on fibrous brucite and the induced changes in surface properties were studied by using X-ray diffraction(XRD),scanning electron microscopy(SEM),infrared spectroscopy(IR),Raman spectroscopy and thermo-gravimetric analysis(TGA).XRD analysis indicates that the modification of fibrous brucite with stearic acid does not cause any changes in the structure of fibrous brucite mineral.Spectroscopy and thermal analysis show that the surfactant molecules are not only directly adsorbed on the surface of the mineral,but also chemisorbed on mineral surface by forming chemical bonds between the modifier and magnesium hydroxide.展开更多
A novel organic polycarboxylate N-cyclohexylaziridines-2R,3S-dicarboxylic acid was synthesized and reacted with Ni2(OH)2CO3.As a result,a coordination polymer was obtained.It crystallizes in orthorhombic,space group...A novel organic polycarboxylate N-cyclohexylaziridines-2R,3S-dicarboxylic acid was synthesized and reacted with Ni2(OH)2CO3.As a result,a coordination polymer was obtained.It crystallizes in orthorhombic,space group Pbca with a = 8.6325(10),b = 10.5414(13),c = 27.644(3) ,Z = 4,V = 2515.5(5) 3,C20H34N2Ni2O12,Mr = 611.91,Dc = 1.616 g/cm3,μ = 1.562 mm-1,F(000) = 1280,the final R = 0.0320 and wR = 0.0677 for 2854 independent reflections with Rint = 0.0390.Crystal structure shows that the coordination environment around the Ni(Ⅱ) ion can be described as a slightly distorted octahedron.The ligands act as a bridge through the carboxyl O atoms and join the Ni atoms into an infinite 1D chain structure.The 1D chain forms a 2D network through intermolecular O-H…O hydrogen bonds.The magnetic susceptibility measurements(2~300 K) agree with a weak antiferronmagnetic interaction between neighboring Ni ions in the chain.展开更多
Two coordination compounds with a flexible ligand N,N?-diacetic acid imidazolium(HDAM),{[Co(trans-DAM)(bipy)(H2O)2](OH)·4H2O}n 1 and {[Cd(trans-DAM)(bipy)(H2O)](NO3)?2H2O}n 2(bipy = 4,4'-bip...Two coordination compounds with a flexible ligand N,N?-diacetic acid imidazolium(HDAM),{[Co(trans-DAM)(bipy)(H2O)2](OH)·4H2O}n 1 and {[Cd(trans-DAM)(bipy)(H2O)](NO3)?2H2O}n 2(bipy = 4,4'-bipyridine),were prepared and characterized by single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic,space group P2/n with a = 7.589(6),b = 11.444(2),c = 12.894(3)(A°),β = 90.99(3)°,V = 1119.8(4)(A°)^3,Z = 4,C8.5H14N2O5.5Co0.5,Mr = 261.68,Dc = 1.552 g/cm^3,F(000) = 546,μ = 0.832 mm^-1,the final R = 0.0657 and wR = 0.1958.Compound 2 crystallizes in the monoclinic C2 space group with a = 17.479(4),b = 11.689(2),c = 11.670(2),β = 117.13(3)°,V = 2121.9(7)3,Z = 4,C17H21N5O10Cd,Mr = 567.79,Dc = 1.777 g/cm^3,F(000) = 1144,μ = 1.096 mm^-1,the final R = 0.0233 and wR = 0.0638.In 1,the Co(II) ions are linked by μ2-trans-DAM-and bipy ligands to build a 2D(4,4) rectangular grid layer,exhibiting a 4-connected sql net.As for 2,μ3-trans-DAM-and bipy bridge Cd(II) ions form a 2D double-layer,consisting of a couple of(4,4) grid layers,which can be viewed as a(3,4)-connected network.In both compounds,the 2D structures are stabilized by hydrogen bonding interactions to give 3D supramolecular frameworks.Additionally,FT-IR spectroscopy,UV-Visible spectroscopy,and the fluorescent properties are discussed.展开更多
A new three-dimensional(3D) coordination polymer, [Cd(L)2H2O]n·5nH2O 1 with 4-[(3-pyridyl)methylamino]benzoate acid(HL), has been synthesized by slow evaporation solvent at room temperature, and structura...A new three-dimensional(3D) coordination polymer, [Cd(L)2H2O]n·5nH2O 1 with 4-[(3-pyridyl)methylamino]benzoate acid(HL), has been synthesized by slow evaporation solvent at room temperature, and structurally characterized by elemental analysis, IR spectrum, thermal analysis, fluorescence spectrum and single-crystal X-ray diffraction. Compound 1 crystallizes in the tetragonal system, space group I-4, with a = 20.7937(16), c = 13.515(2), V = 5843.5(11) 3, C26H34CdN4O10, Mr = 674.97, Dc = 1.534 g/cm3, μ(MoKα) = 0.808 mm-1, F(000) = 2768, Z = 8, the final R = 0.0276 and wR = 0.0691 for 5323 observed reflections(I 〉 2σ(I)). The result of thermal analysis shows that 1 is stable under 290 ℃. Moreover, it exhibits blue photoluminescence at room temperature.展开更多
文摘Mesoporous molecular sieves, NbFAPO-5 and NbFAPSO-5 were hydrothermally synthesized with AlPO-5 type structure. Characterization of these molecular sieves was performed by X-ray diffraction to determine their structure, ICP-EAS for their elemental composition and infrared spectrometry to access their acidic properties. X-ray diffraction patterns confirmed well AlPO-5 type structure. ICP-EAS analysis confirmed the incorporation of silicon (12.9%), aluminium (15.4%), phosphorous (21.9%), iron (5.62%) and niobium (0.39%) into AlPO-5 framework. Infrared spectrometry analysis showed that both Bronsted and Lewis sites were found in the synthesized samples. The presence of both Bronsted and Lewis acid site led to bifunctional function of NbFAPO-5 and NbFAPSO-5 molecular sieve in promoting both oxidation and esterification reactions. NbFAPSO-5 Bronsted acidity was higher than that of NbFAPO-5 and for Lewis acidity, NbFAPO-5 was higher than that of NbFAPO-5.
基金supported by the NSF of Fujian Province(2015J01597)Collegiate Natural Science Fund of Fujian Province(JK2012019)Professor Fund of Fujian Medical University(JS14008)
文摘Two manganese(II) coordination polymers, namely, {[Mn(PIP)(BIBP)]·(BIBP)0.5}n(1) and {[Mn(PTA)(BIMBP)(H2O)]·H2O(0.69)}n(2)(H2PIP = 5-(4-pyridyl)-isophthalic acid, H2 PTA =6-(4-pyridyl)-terephthalic acid, BIBP = 4,4?-bis(imidazol-1-yl)biphenyl, and BIMBP =4,4?-bis(imidazol-1-ylmethyl)biphenyl), have been synthesized by using the bifunctional pyrinde-benzene carboxylic acids and bis(imidazole) linkers as mixed ligands to react with Mn SO4,and further characterized by elemental analysis, IR, and PXRD. Compound 1 is in the triclicnic system, space group P1 with a = 10.1089(8), b = 13.1927(12), c = 14.0638(12)A, α = 69.437(2), β= 73.2890(10), γ = 78.5320(10)o, V = 1671.9(2) A^3, Z = 2, Dc = 1.449 g/cm^3, F(000) = 705,μ(MoK α) = 0.453 mm^-1, S = 1.053, R = 0.0491 and wR = 0.1367 for 5837 unique reflections(Rint =0.0208) with I 〉 2σ(I). Compound 2 belongs to the monoclicnic system, space group C2/c with a =15.199(3), b = 19.731(3), c = 21.537(5) ?, β = 105.228(3)o, V = 6232(2) A^3, Z = 8, Dc = 1.363g/cm^3, F(000) = 2648, μ(MoK α) = 0.475 mm^-1, S = 1.048, R = 0.0489 and wR = 0.1151 for 7414 unique reflections(Rint = 0.0425) with I 〉 2σ(I). Structural analyses reveal that complex 1 is a4-connected(44.62)-sql bilayer structure with binuclear [Mn2(COO)2] SBU, while complex 2 is a normally(3,5)-connected(42.67.8)(42.6)-3,5L2 monolayer. And the sheets interacted with the adjacent sheets through weak interactions, finally giving a stable three-dimensional(3D)supramolecule. Besides, the variable-temperature magnetic susceptibility measurement of complex1 was investigated.
基金supported by the National Natural Science Foundation of China(No.21571093)the Program for Science&Technology Innovation Talents in Universities of Henan Province(No.14HASTIT017)+1 种基金the Program for Innovative Research Team(in Science and Technology)in University of Henan Province(No.14IRTSTHN008)the Foundation of Education Committee of Henan Province(No.142300410301)
文摘Two new Co(Ⅱ) coordination polymers,{[Co_3(Hchda)_2(chda)_2(bpp)_2(H_2O)_2]}_n 1 and {[Co(chda)(bpe)(H_2O)]·3H_2O}_n 2(H_2chda = 1,1-cyclohexanediacetic acid,bpp = 1,3-bis(4-pyridinyl)propane and bpe = 1,2-bis(4-pyridinyl)ethylene),were hydrothermally synthesized and then characterized by elemental analysis,IR spectroscopy,thermogravimetric analysis(TGA),and single-crystal X-ray diffraction.Complex 1 possesses an infinite metal-organic layer based on triply bridged linear trinuclear subunits and complex 2 exhibits a square(4,4) grid layer with dangling lateral arms resulting from eight-membered rings above and below the layer.In addition,magnetic properties of complexes 1 and 2 are also given.
基金Funded by the Shanxi Province Science Foundation for Youths of China[Nos.2014021020-2 and 2015021076]the Shanxi Province Higher School Science and Technology Innovation Project[No.2015125]+2 种基金the Project of Taiyuan University of Technology[Nos.2013T0202013T0212013T022]
文摘In order to improve the thermal properties of polylactic acid(PLA) filament,nano-SiO_2 was applied to mix with PLA,then they were spun as composite filament by melt-spinning.The dispersion of nano SiO_2 and the fracture surfaces of filaments were studied by scanning electron microscopy(SEM).The properties of composite filament,such as orientation degree,mechanical properties,and surface friction properties,were analyzed.The thermal performances of composite filament were analyzed by differential scanning calorimetry(DSC) and thermo gravimetric analysis(TGA).The results showed that the nano-SiO_2 modified by 5% KH-550 could disperse evenly and loosely in nano-scale,and 1 wt% and 3 wt% nano-SiO_2 dispersed throughout PLA evenly.As the quantity of nano-SiO_2 increased,the properties of composite filament,such as orientation degree,friction coefficient,thermal decomposition temperature,and glass transition temperature,increased more or less.The breaking tenacity increased when 1 wt% SiO_2 was added in PLA,but declined when 3 wt% SiO_2 was added.
基金supported by Education Chamber of Henan Province(No.15A150068)
文摘A novel 3D metal-organic coordination polymer with helical chains based on a flexible 5-(imidazol-1-ylmethyl)isophthalic acid(H_2L) as a main ligand and 1,2-bis(4-pyridyl)ethane(bpa) as a N-containing ancillary ligand,[Cd L(bpa)_(0.5)]_n(1),has been obtained under hydrothermal conditions and characterized by elemental analysis,powder X-ray diffraction(PXRD),IR,thermal gravimetric analyses(TGA) and single-crystal X-ray diffraction.It crystallizes in monoclinic,space group P2_1/c with a = 10.984(2),b = 10.1829(12),c = 17.782(3) A,β = 123.156(11)o,V = 1665.1(5) A^3,Z = 4,Mr = 448.72,Dc = 1.790 g/cm^3,Rint = 0.0871,F(000) = 892,the final R = 0.0687 and w R = 0.1294 for 2920 observed reflections(I 〉 2σ(I)).In complex 1,the L^2- anions connect Cd(Ⅱ) ions to form two-dimensional metal-organic layers(Cd_2L_2)n,in which the 1D helical chains(Cd-L)_n are alternately arranged in a right-and left-handed sequence.These layers are further linked to build a 3D network by the bpa ligand.In addtion,photoluminescent properties for 1 are also investigated.
文摘INTRODUCTIONThough potassium salts of rare earth substituted silicotungsticacids were synthesized early in 1971 by R.D.Peacock etc.,sofar the reports about the application of the corresponding acidshave not been found.We prepared fourteen rare earth substitutedsilicotungstic acids and determined their thermal stability,IRabsorption Spectra and x-ray diffraction spectra.Furthermore,thecatalytic activities of the fourteen heteropoly acids in acid cata-lytic reaction were investigated.Our experimental results demonstrated rare earth substituted silico-tungstic acids have very high catalytic activity in the reaction of
基金Supported by the National Natural Science Foundation of China(No.21361011 and 21101081)Science Founds of State Key Laboratory of Structural Chemistry(20130011)
文摘A dinuclear Tb(Ⅲ) compound, Tb_2(μ_2-anthc)_4(anthc)_2(1,10-phen)_2(1, Hanthc = 9-anthracenecarboxylic acid and 1,10-phen = 1,10-phenanthroline), was synthesized under solvothermal condition and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the triclinic system, space group P1, with a = 12.5061(12), b = 13.3168(10), c = 15.0079(12) ?, α = 110.620(7), β = 102.941(7), γ = 107.036(7)o, V = 2081.8(3) ?~3, Z = 1, C_(114)H_(70)N_4O_(12)Tb_2, M_r = 2005.58, D_c = 1.600 g/cm^3, μ = 1.759 mm^(-1), F(000) = 1008, the final R = 0.0294 and w R = 0.0608 for 8900 observed reflections with I 〉 2s(I). In compound 1, two Tb(Ⅲ) ions are linked by four carboxylate groups of the bridging anthc– ligands to give a dinuclear Tb_2(μ_2-anthc)_4 unit wherein each Tb(III) ion is further capped by a terminal anthc– ligand and a 1,10-phen ligand in a chelating fashion. Detailed direct-current and alternating-current susceptibility measurements showed no slow magnetism relaxation phenomenon was observed for 1.
文摘In our previous work, we studied the interaction of folic acid, FA, molecule with single- walled carbon nanotube and the related binding energies with other related parameters. Now, in order to extend our study with respect to the other structural properties of folic acid molecule and its thermodynamic properties, we optimized the structures of both neutral and zwitteronic forms of this molecule by using the DFT/B3LYP method in the gas phase and then in different solvents. In addition, the electronic properties, such as the molecular orbital study (HOMO, LUMO, PDOS, and TDOS) and geometrical structure, were investigated by the above-mentioned method with 6-3 l G(d) basis set. The thermodynamic properties of both neutral and zwitterionic forms of the FA molecule at different temperature have been calculated. Natural bond orbital (NBO) analysis has been done to study the stability of the molecule arising from charge delocalization.
基金supported by the National Natural Science Foundation of China(No.21373178)
文摘Two new coordination polymers {[Zn(Hbtc)(bpyb)]·H2O}n(1) and {[Cd(Hbtc)-(bpyb)(1.5)]·0.5 bpyb}n(2)(H3btc = 1,3,5-benzenetricarboxylic acid, bpyb = 1,4-bis(4-pyridyl)benzene) have been synthesized under hydrothermal conditions. The two compounds were characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction. Compound 1 displays a 2-fold interpenetrating 3D supramolecular architecture through O–H…N/O hydrogen bonds and π-π stacking interactions. Compound 2 exhibits a 2D→3D polycatenated structure, which is further stabilized by O–H…N hydrogen bonds. The results indicate that the metal ion has significant effects on the formation and structure of the resulted coordination polymers. Furthermore, thermal stability and photoluminescent properties of 1 and 2 are also discussed in detail.
文摘A new Pb(Ⅱ) coordination polymer, [Pb(1,4-chdc)(L)]_n·nH_2O(1), was synthesized under hydrothermal condition(1,4-H2 chdc = 1,4-cyclohexanedicarboxylic acid and L = 2-(3-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline). Its crystal structure was determined by singlecrystal X-ray diffraction. Compound 1 crystallizes in triclinic, space group P1 with a = 9.1182(8), b = 11.3249(10), c = 12.7326(12) A, α = 77.897(2), β = 81.644(2), γ = 84.491(2)°, V = 1269.0(2) A^3, Z = 2, C_(27)H_(24)FN_4O_5Pb, M_r = 710.69, D_c = 1.860 g/cm^3, F(000) = 690, μ(MoKa) = 6.701 mm^(-1), R = 0.0349 and wR = 0.0746. In 1, each 1,4-chdc anion bridges two neighboring Pb(Ⅱ) atoms in a bidentate chelating coordination mode to give a chain structure. The L ligands are attached on one side of the chain through chelating the Pb(Ⅱ) atoms, and are stacked with those of an adjacent chain through π-π interactions, yielding a layer structure. The O-H···O and N-H···O hydrogen bonding interactions further stabilize the supramolecular layer structure of 1. Moreover, solid state luminescent property of 1 was also studied.
基金Supported by the Science and Technology Fund of Hengyang Science and Technology Bureau (No. 2008KS035)the Construct Program of the Key Discipline in Hunan Province
文摘A new trinuclear nickel complex,[Ni3(pdc)3(2,2'-bipy)3(H2O)2]·2H2O(H2pdc = pyridine 2,6-dicarboxylic acid,2,2'-bipy = 2,2'-bipyridine) has been hydrothermally synthesized and characterized by IR,elemental analysis and X-ray diffraction methods.Crystal data for this complex:monoclinic,space group P21/n,a = 21.206(4),b = 10.002(2),c = 28.066(6),β = 108.18(3)°,C51H41N9Ni3O16,Mr = 1212.06,V = 5.656(2) nm3,Dc = 1.423 g·cm-3,μ(MoKα) = 1.062 mm-1,Z = 4,F(000) = 2488,GOOF = 1.034,the final R = 0.0543 and wR = 0.1237 for 6149 observed reflections with Ⅰ 〉 2σ(Ⅰ).In the complex,three nickel(Ⅱ) ions are bridged by the pyridine 2,6-dicarboxylic acid groups,and all nickel(Ⅱ) ions are seven-coordinated by nitrogen atoms of 2,2'-bipyridine and pyridine 2,6-dicarboxylic acid and oxygen atoms from pyridine 2,6-dicarboxylic and water to adopt a severely distorted pentagonal bipyramidal geometry.The emission and excitation peaks of the complex in ethanol solutions are located at 336 and 316 nm,respectively.
基金supported by the Natural Science Foundation of Fujian province(2015J01033)Industry-University Cooperation Key Project of Science and Technology of Fujian Province(2012H6002)
文摘Solvothermal reaction of Pb(NO3)2·6H2O with rigid linear ligand terephthalic acid(H2pta) in N,N-dimethylformamide(DMF) produced a new three-dimensional(3D) lead(Ⅱ)coordination polymer[Pb2(pta)1.5(μ4-OH)(DMF)]n 1,and its structure was characterized by single-crystal X-ray diffraction analyses.In polymer 1,the μ4-OH bridges the nearby lead(Ⅱ) ions into an infinite one-dimensional(1D) chain,and then the organic ligand pta^2- joins the neighbored chains into a 3D structure by two similar connection modes in different configurations.The solid-state photoluminescent studies revealed that 1 exhibits a strong greenish emission mainly originating from ligand-to-metal charge transfer between the delocalized π bonds of the aromatic carboxylate ligand pta^2- and the p orbitals of the Pb^2+ centers.
基金supported by the National Natural Science Foundation of China (Nos. 20771054 and 20471026) Henan Tackle Key Problem of Science and Technology (Nos. 072102270030 and 072102270034)
文摘Making use of N-P-acetamidobenzenesulfonyl-glycine acid (abbreviated as abglyH2),two transitional metal complexes [Zn(abglyH)(phen)2]ClO4·H2O (1) and Co(abglyH)2(bipy)2(H2O)2 (2) (phen = 1,10-phenanthroline,bipy = 4,4'-bipyridine) have been synthesized under mild conditions and characterized by IR,elemental analysis and X-ray diffraction analysis. Complex 1 is a monomeric compound which is further assembled by intermolecular hydrogen bonds and π-π interaction into a 2-D supramolecular network. Complex 2 is also a monomeric compound and further connected by intermolecular hydrogen bonds to form a 2-D supramolecular network. Fluorescent analysis shows that complex 1 has an emissive maximum at 364 nm in the solution state at room temperature.
基金Supported by the Doctoral Scientific Research Foundation of Hengyang Normal University(16D06)the Open Fund Project of Key Laboratory of Functional Organometallic Materials of Hengyang Normal University(GN15K02)
文摘A new europium(III) complex Eu(L)3(Phen)2(1) with 2-benzoylbenzoic acid(HL) and 1,10-phenanthroline(Phen) as ligands has been synthesized. Crystal data for the complex are as follows: monoclinic, space group P21/c, a = 2.2577(4), b = 1.23484(19), c = 1.8789(3) nm, β = 94.918(3)o, V = 5.2189(14) nm^3, Dc = 1.512 g/cm^3, Z = 4, μ(Mo Kα) = 1.269 mm^-1, F(000) = 2408, the final R = 0.0433 and w R = 0.1038. The Eu(III) ion is coordinated by nine atoms to give a single-capped square antiprism coordination geometry. 1 shows two intense fluorescence emission bands arising from the transitions of Eu^3+: ^5D0→^7F1(597 nm) and ^5D0→^7F2(615 nm) with an excitation wavelength of 396 nm. In addition, 1 displays antiferromagnetic property at low temperature.
基金supported by the Natural Science Foundation of Shanxi Province(No.2013011011-6)the Subject Team of Taiyuan University of Science and Technology
文摘Two coordination polymers, namely [Co(5-Clnic)2(H2biim)]n 1 and {[Ni(5-Clnic)(Hbiim)]·H2O}n 2(5-Clnic H = 5-halonicotinic acid, H2 biim = 2,2ˊ-biimidazole), were assembled. Single-crystal X-ray diffraction studies show that compound 1 possesses a 1D chain coordination network, which is further extended into a 3D supramolecular architecture via N–H…O hydrogen bonds and π-π packing interactions. Compound 2 features a 1D chain structure based on the hexanuclear macrocycles. The adjacent 1D chains are held together into a 3D supramolecular framework via N–H…O and O–H…O hydrogen bonding interactions. Thermal stability and magnetic properties of both compounds were studied and discussed.
基金supported by the Natural Science Foundation of Guizhou Province(20122344)125 program of Guizhou Education Department(2012015)the Doctoral Scientific Fund of Zunyi Normal College(2012BSJJ12)
文摘With the help of in-situ formed CH_3COO- anion, a pair of 3D homochiral coordination polymers with open channels were constructed by the assembly of lactic acid derivative ligands, 1.4-DIB ligands and Cd(II) ions, namely [Cd3((R)-CIA)2(CH3CO2)_2(1.4-DIB)2(H2O)2]·x(Guest)(1-D) and [Cd3((S)-CIA)2(CH3CO2)2(1.4-DIB)2(H2O)2]·x(Guest)(1-L). They contain 1D interesting ladder-like Cd-(R)-CIA(3-) chains and exhibit SHG-active behavior and photoluminescent property.
基金Funded by National Natural Science Foundation of China(No.51274015)
文摘Fibrous brucite,a kind of brucite with unique structure and physical properties,was modified with stearic acid as a surface modifier.In order to investigate the mechanism of surface modification,the fixation of stearic acid on fibrous brucite and the induced changes in surface properties were studied by using X-ray diffraction(XRD),scanning electron microscopy(SEM),infrared spectroscopy(IR),Raman spectroscopy and thermo-gravimetric analysis(TGA).XRD analysis indicates that the modification of fibrous brucite with stearic acid does not cause any changes in the structure of fibrous brucite mineral.Spectroscopy and thermal analysis show that the surfactant molecules are not only directly adsorbed on the surface of the mineral,but also chemisorbed on mineral surface by forming chemical bonds between the modifier and magnesium hydroxide.
文摘A novel organic polycarboxylate N-cyclohexylaziridines-2R,3S-dicarboxylic acid was synthesized and reacted with Ni2(OH)2CO3.As a result,a coordination polymer was obtained.It crystallizes in orthorhombic,space group Pbca with a = 8.6325(10),b = 10.5414(13),c = 27.644(3) ,Z = 4,V = 2515.5(5) 3,C20H34N2Ni2O12,Mr = 611.91,Dc = 1.616 g/cm3,μ = 1.562 mm-1,F(000) = 1280,the final R = 0.0320 and wR = 0.0677 for 2854 independent reflections with Rint = 0.0390.Crystal structure shows that the coordination environment around the Ni(Ⅱ) ion can be described as a slightly distorted octahedron.The ligands act as a bridge through the carboxyl O atoms and join the Ni atoms into an infinite 1D chain structure.The 1D chain forms a 2D network through intermolecular O-H…O hydrogen bonds.The magnetic susceptibility measurements(2~300 K) agree with a weak antiferronmagnetic interaction between neighboring Ni ions in the chain.
基金supported by the National Natural Science Foundation of China (No. 20873021)
文摘Two coordination compounds with a flexible ligand N,N?-diacetic acid imidazolium(HDAM),{[Co(trans-DAM)(bipy)(H2O)2](OH)·4H2O}n 1 and {[Cd(trans-DAM)(bipy)(H2O)](NO3)?2H2O}n 2(bipy = 4,4'-bipyridine),were prepared and characterized by single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic,space group P2/n with a = 7.589(6),b = 11.444(2),c = 12.894(3)(A°),β = 90.99(3)°,V = 1119.8(4)(A°)^3,Z = 4,C8.5H14N2O5.5Co0.5,Mr = 261.68,Dc = 1.552 g/cm^3,F(000) = 546,μ = 0.832 mm^-1,the final R = 0.0657 and wR = 0.1958.Compound 2 crystallizes in the monoclinic C2 space group with a = 17.479(4),b = 11.689(2),c = 11.670(2),β = 117.13(3)°,V = 2121.9(7)3,Z = 4,C17H21N5O10Cd,Mr = 567.79,Dc = 1.777 g/cm^3,F(000) = 1144,μ = 1.096 mm^-1,the final R = 0.0233 and wR = 0.0638.In 1,the Co(II) ions are linked by μ2-trans-DAM-and bipy ligands to build a 2D(4,4) rectangular grid layer,exhibiting a 4-connected sql net.As for 2,μ3-trans-DAM-and bipy bridge Cd(II) ions form a 2D double-layer,consisting of a couple of(4,4) grid layers,which can be viewed as a(3,4)-connected network.In both compounds,the 2D structures are stabilized by hydrogen bonding interactions to give 3D supramolecular frameworks.Additionally,FT-IR spectroscopy,UV-Visible spectroscopy,and the fluorescent properties are discussed.
基金supported by the Science and Technology Development Project of Jilin Provincial Science & Technology Department(201205080)the Science and Technology Research Projects of the Education Office of Jilin Province(No.2013.384)
文摘A new three-dimensional(3D) coordination polymer, [Cd(L)2H2O]n·5nH2O 1 with 4-[(3-pyridyl)methylamino]benzoate acid(HL), has been synthesized by slow evaporation solvent at room temperature, and structurally characterized by elemental analysis, IR spectrum, thermal analysis, fluorescence spectrum and single-crystal X-ray diffraction. Compound 1 crystallizes in the tetragonal system, space group I-4, with a = 20.7937(16), c = 13.515(2), V = 5843.5(11) 3, C26H34CdN4O10, Mr = 674.97, Dc = 1.534 g/cm3, μ(MoKα) = 0.808 mm-1, F(000) = 2768, Z = 8, the final R = 0.0276 and wR = 0.0691 for 5323 observed reflections(I 〉 2σ(I)). The result of thermal analysis shows that 1 is stable under 290 ℃. Moreover, it exhibits blue photoluminescence at room temperature.