Based on energy dissipation and structural control principle, a new structural configuration, called the megasub controlled structure (MSCS) with friction damped braces (FDBs), is first presented. Meanwhile, to ca...Based on energy dissipation and structural control principle, a new structural configuration, called the megasub controlled structure (MSCS) with friction damped braces (FDBs), is first presented. Meanwhile, to calculate the damping coefficient in the slipping state a new analytical method is proposed. The damping characteristics of one-storey friction damped braced frame (FDBF) are investigated, and the influence of the structural parameters on the energy dissipation and the practical engineering design are discussed. The nonlinear dynamic equations and the analytical model of the MSCS with FDBs are established. Three building structures with different structural configurations, which were designed with reference to the conventional mega-sub structures such as used in Tokyo City Hall, are comparatively investigated. The results illustrate that the structure presented in the paper has excellent dynamic properties and satisfactory control effectiveness.展开更多
The newly proposed mega sub-controlled structure system(MSCSS)and related studies have drawn the attention of civil engineers for practice in improving the performance and enhancing the structural effectiveness of meg...The newly proposed mega sub-controlled structure system(MSCSS)and related studies have drawn the attention of civil engineers for practice in improving the performance and enhancing the structural effectiveness of mega frame structures.However,there is still a need for improvement to its basic structural arrangement.In this project,an advanced,reasonable arrangement of mega sub-controlled structure models,composed of three mega stories with different numbers and arrangements of substructures,are designed to investigate the control performance of the models and obtain the optimal model configuration(model with minimum acceleration and displacement responses)under strong earthquake excitation.In addition,the dynamic parameters that affect the performance effectiveness of the optimal model of MSCSS are studied and discussed.The area of the relative stiffness ratio RD,with different mass ratio MR,within which the acceleration and displacement of the optimal model of MSCSS reaches its optimum(minimum)value is considered as an optimum region.It serves as a useful tool in practical engineering design.The study demonstrates that the proposed MSCSS configuration can efficiently control the displacement and acceleration of high rise buildings.In addition,some analytical guidelines are provided for selecting the control parameters of the structure.展开更多
The recently proposed mega-sub controlled structure (MSCS), a new type of structure associated with the design and construction of super-tall buildings, has attracted the attention of designers for use in enhancing ...The recently proposed mega-sub controlled structure (MSCS), a new type of structure associated with the design and construction of super-tall buildings, has attracted the attention of designers for use in enhancing the control effectiveness in mega-frame buildings. In this paper, a dynamic equation and method to assemble parameter matrixes for a mega-sub controlled structure under random wind loads is presented. Semi-active control using magnetorheological dampers for the MSCS under random wind loads is investigated, and is compared with a corresponding system without dampers. A parametric study of the relative stiffness ratio and relative mass ratio between the mega-frame and the substructures, as well as the additional column stiffness ratio that influences the response control effectiveness of the MSCS, is discussed. The studies reveal, for the first time, that different control mechanisms exist. The results indicate that the proposed structure employing semi-active control can offer an effective control mechanism. Guidelines for selecting parameters are provided based on the analytical study.展开更多
An oblique detonation wave for a Mach 7 inlet flow over a long enough wedge of 30 turning angle is simulated numerically using Euler equation and one-step rection model.The fifth-order WENO scheme is adopted to captur...An oblique detonation wave for a Mach 7 inlet flow over a long enough wedge of 30 turning angle is simulated numerically using Euler equation and one-step rection model.The fifth-order WENO scheme is adopted to capture the shock wave.The numerical results show that with the compression of the wedge wall the detonation wave front structure is divided into three sections:the ZND model-like strcuture,single-sided triple point structure and dual-headed triple point strucuture.The first structure is the smooth straight,and the second has the characteristic of the triple points propagating dowanstream only with the same velocity,while the dual-headed triple point structure is very complicated.The detonation waves facing upstream and downstream propagate with different velocities,in which the periodic collisions of the triple points cause the oscillation of the detonation wave front.This oscillation process has temporal and spatial periodicity.In addition,the triple point trace are recorded to obtain different cell structures in three sections.展开更多
The crystal structure of the title compound, 2-isobutyl-6-(2?4?dichlorophenyl)- imidazo[2,1-b]-1,3,4-thiadiazole (C14H13Cl2N3S, Mr = 326.23), has been synthesized by the treatment of 2-amino-5-isobutyl-1,3,4-thiadiazo...The crystal structure of the title compound, 2-isobutyl-6-(2?4?dichlorophenyl)- imidazo[2,1-b]-1,3,4-thiadiazole (C14H13Cl2N3S, Mr = 326.23), has been synthesized by the treatment of 2-amino-5-isobutyl-1,3,4-thiadiazole with a-chloroaceto-2,4-dichlorophenone and determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 12.483(7), b = 8.420(4), c = 14.998(8) ? b = 105.770(10)? V = 1517.0(14) 3, Z = 4, Dc = 1.428 g/cm3, S = 0.902, m(MoKa) = 0.558 mm-1, F (000) = 672, R = 0.0579 and wR = 0.1186. The X-ray analytic results showed that all ring atoms in the imidazothiadiazole moiety are almost coplanar. The dihedral angel between the phenyl group and hetero-cycle is 16.8(0.2)?展开更多
The continental margin of Northeast China and its adjacent areas is composed of two tectonic belts. The inner belt is a collage made up of fragments resulting from breakup of an old land with the north part related to...The continental margin of Northeast China and its adjacent areas is composed of two tectonic belts. The inner belt is a collage made up of fragments resulting from breakup of an old land with the north part related to the evolution of the Palaeo-Asian Ocean and the south part to the evolution of the Palaeo - Pacific Ocean. The outer belt is a Mesozoic terrane, which is a melange made up of fragments of the Late Palaeozoic to Early Mesozoic oceanic crust and the Late M esozoic trench accumulations.There existed another ocean-the Palaeo - Pacific Ocean during the period from the closing of the Palaeo-Asian Ocean to the opening of the modern Pacific Ocean or from the Devonian to Jurassic, and the ocean-floor spreading of the Palaeo - Pacific Ocean led to the formation of the above-mentioned tectonic belts. The development of the strike-slip fault system after the Late Jurassic and the formation of an epicontinental volcano -plutonic rock belt in the Late Cretaceous to Early Tertiary are attributed to the interaction between the modern Pacific plate and the Eurasian plate.展开更多
On the basis of the finite element analysis, the elastic wave propagation in cellular structures is investigated using the symplectic algorithm. The variation principle is first applied to obtain the dual variables an...On the basis of the finite element analysis, the elastic wave propagation in cellular structures is investigated using the symplectic algorithm. The variation principle is first applied to obtain the dual variables and the wave propagation problem is then transformed into two-dimensional (2D) symplectic eigenvalue problems, where the extended Wittrick-Williams algorithm is used to ensure that no phase propagation eigenvalues are missed during computation. Three typical cellular structures, square, triangle and hexagon, are introduced to illustrate the unique feature of the symplectic algorithm in higher-frequency calculation, which is due to the conserved properties of the structure-preserving symplectic algorithm. On the basis of the dispersion relations and phase constant surface analysis, the band structure is shown to be insensitive to the material type at lower frequencies, however, much more related at higher frequencies. This paper also demonstrates how the boundary conditions adopted in the finite element modeling process and the structures' configurations affect the band structures. The hexagonal cells are demonstrated to be more efficient for sound insulation at higher frequencies, while the triangular cells are preferred at lower frequencies. No complete band gaps are observed for the square cells with fixed-end boundary conditions. The analysis of phase constant surfaces guides the design of 2D cellular structures where waves at certain frequencies do not propagate in specified directions. The findings from the present study will provide invaluable guidelines for the future application of cellular structures in sound insulation.展开更多
This paper reports internal structures of a wide fault zone at Shenxigou,Dujiangyan,Sichuan province,China,and high-velocity frictional properties of the fault gouge collected near the coseismic slip zone during the 2...This paper reports internal structures of a wide fault zone at Shenxigou,Dujiangyan,Sichuan province,China,and high-velocity frictional properties of the fault gouge collected near the coseismic slip zone during the 2008 Wenchuan earthquake.Vertical offset and horizontal displacement at the trench site were 2.8 m(NW side up)and 4.8 m(right-lateral),respectively.The fault zone formed in Triassic sandstone,siltstone,and shale about 500 m away from the Yingxiu-Beichuan fault,a major fault in the Longmenshan fault system.A trench survey across the coseismic fault,and observations of outcrops and drill cores down to a depth of 57 m revealed that the fault zone consists of fault gouge and fault breccia of about0.5 and 250-300 m in widths,respectively,and that the fault strikes N62°E and dips 68° to NW.Quaternary conglomerates were recovered beneath the fault in the drilling,so that the fault moved at least 55 m along the coseismic slip zone,experiencing about 18 events of similar sizes.The fault core is composed of grayish gouge(GG) and blackish gouge(BG) with very complex slip-zone structures.BG contains low-crystalline graphite of about 30 %.High-velocity friction experiments were conducted at normal stresses of 0.6-2.1 MPa and slip rates of 0.1-2.1 m/s.Both GG and BG exhibit dramatic slip weakening at constant high slip rates that can be described as an exponential decay from peak friction coefficient lpto steadystate friction coefficient lssover a slip-weakening distance Dc.Deformation of GG and BG is characterized by overlapped slip-zone structures and development of sharp slickenside surfaces,respectively.Comparison of our data with those reported for other outcrops indicates that the high-velocity frictional properties of the Longmenshan fault zones are quite uniform and the high-velocity weakening must have promoted dynamic rupture propagation during the Wenchuan earthquake.展开更多
Bimetallic clusters have aroused tremendous interest because the property changes like structure,size,and composition have occurred.Herein,a structural search of the global minimum for anionic LiMg_(n)^(-)(n=2-11) clu...Bimetallic clusters have aroused tremendous interest because the property changes like structure,size,and composition have occurred.Herein,a structural search of the global minimum for anionic LiMg_(n)^(-)(n=2-11) clusters is performed using an efficient crystal structure analysis by particle swarm optimization(CALYPSO) structural searching program with subsequent density functional theory(DFT) calculations.A great variety of low energetic isomers are converged,and the most stable ones are confirmed by comparing their total energy of each size.It is found that the LiMg_(n)^(-)clusters are structurally consistent with corresponding Mg clusters anions except for LiMg_(5)^(-)and LiMg_(7)^(-).In all the doped clusters,the Li atom prefers to occupy the convex position.Simulated photoelectron spectra(PES),Infrared(IR),and Raman spectra of LiMg_(n)^(-)could be used as an essential evidence for identifying cluster structures experimentally in the future.Stability study reveals that a tower-like structure of LiMg_(9)^(-)has prominent stability and can be identified as a magic number cluster.The reason might be that there are both closed-shell 1S^(2)1P^(6)1D^(10)2S^(2) electronic configurations and stronger Li-Mg bonds caused by sp hybridization in the LiMg_(9)^(-)cluster.展开更多
A new complex Mn(Htpc)2(H2O)2(1, Htpc = 5-(trifluoromethyl)pyridine-2-carboxylic acid) has been synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. 1 belongs to triclinic ...A new complex Mn(Htpc)2(H2O)2(1, Htpc = 5-(trifluoromethyl)pyridine-2-carboxylic acid) has been synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. 1 belongs to triclinic system, space group P■ with a = 5.0885(10), b = 6.5574(13), c = 14.016(3) ?, β = 90.67(3)o, V = 436.34(17) ?3, Z = 1, Dc = 1.793 g·cm-3, μ = 0.855 mm-1, Mr = 471.18, F(000) = 235, the final R = 0.0454 and wR = 0.1134 for 1998 observed reflections with I > 2σ(I). The Mn(Ⅱ) ion is coordinated by two N and two O atoms from two Htpc as well as two O atoms from two coordinated water molecules, forming a 0D motif with distorted octahedral coordinate geometry. The adjacent 0D units are linked into 1D chains through hydrogen bond O(1W)–H(1 WB)···O(2), and via the O(1 W)–H(1 WA)···O(1) hydrogen bond the neighboring 1D chains are connected into a 2D supramolecular layer. Moreover, the interactions between the ligand and its complex with CT-DNA were studied by EtBr fluorescence probe, which suggested that these compounds bind to CT-DNA through an intercalation mode. The binding constants were 0.41 and 0.64 for Htpc and complex 1, respectively. It indicates that the interaction between complex 1 and CT-DNA is stronger than Htpc.展开更多
Zn(Ⅱ), Ni(Ⅱ) and Co(Ⅱ) compounds(1~3) based on 2-(2-pyridyl)benzothiazole(bpt) and terephthalic acid(PTA) were synthesized. The crystal structures of [Zn(bpt)(PTA)2](1), [Ni(bpt)(PTA)2](2), and [Co(bpt)(PTA)2](3) ...Zn(Ⅱ), Ni(Ⅱ) and Co(Ⅱ) compounds(1~3) based on 2-(2-pyridyl)benzothiazole(bpt) and terephthalic acid(PTA) were synthesized. The crystal structures of [Zn(bpt)(PTA)2](1), [Ni(bpt)(PTA)2](2), and [Co(bpt)(PTA)2](3) have been determined by single-crystal X-ray diffraction analysis, which shows that all the three complexes belong to monoclinic system with space group P21/c. Time-dependent density functional theory(TD-DFT) calculation is performed on a reference structure of compound 3. The excited electrons mainly localized at the π* of ligand 2-(2-pyridyl)benzothiazole, which will be convenient for them to bind with the DNA reacting sites. Fluorescence spectroscopy, ultraviolet(UV) spectroscopy and viscosity were used to characterize the interaction of the compounds with Calf thymus DNA(CT-DNA). The results indicate that compounds 1~3 bind to CT-DNA and have a strong interaction with DNA. The compounds can probably bind to CT-DNA via a non-intercalative mode as concluded by studying the viscosity of a DNA solution in the presence of the compounds. This combination can effectively break DNA, which speculates that these three compounds may interact with the cancer cell DNA in this binding mode, thereby damaging the cancer cells.展开更多
A new Cu(Ⅱ) complex [Cu(4-cba)(1,10-phen)(H2O)2](NO3) (4-Hcba = 4-cyanobenzoic acid) has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characteriz...A new Cu(Ⅱ) complex [Cu(4-cba)(1,10-phen)(H2O)2](NO3) (4-Hcba = 4-cyanobenzoic acid) has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data: C20H16CuN4O7, Mr= 487.91, triclinic, space group PI, a = 7.8420(2), b = 9.1070(2), c = 15.1140(6) A, a = 76.889(9), β = 81.332(11), γ = 74.844( 11)°, V = 1009.89(5) A^3, Z = 2, Dc = 1.605 g/cm^3, F(000) = 498, μ = 1.134 mm^-1, the final R = 0.0379 and wR = 0.0865 for 2977 observed reflections with 1 〉 2σ(Ⅰ). The Cu(Ⅱ) atom is coordinated by two terminal water molecules, one chelating 1,10-phen molecule and one monodentate 4-cba ligand to form a slightly distorted square pyramid. The title complex molecules are connected through hydrogen bonds and π-π stacking interactions to generate a 2D layered network. The thermogravimetric analysis of the title complex has also been discussed.展开更多
A new Zn(II) complex, [Zn(L)(IPP)(H2O)]'2H2O(1, H2L = 3-carboxy-l-car- boxymethyl-2-oxidopyridinium and IPP = 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol), was synthesized under hydrothermal condi...A new Zn(II) complex, [Zn(L)(IPP)(H2O)]'2H2O(1, H2L = 3-carboxy-l-car- boxymethyl-2-oxidopyridinium and IPP = 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol), was synthesized under hydrothermal conditions and its structure was determined by single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pi with a = 8.5023(17), b = 9.945(2), c = 15.573(3) A, a = 95.87(3), β = 102.56(3), y = 100.73(3)°, V= 1248.7(4) A3, Z= 2, C27H22N5O9Zn, Mr= 625.87, Dc = 1.665 g/cm^3, F(000) = 642, μ(MoKa) = 1.053 mm^-1, R = 0.0474 and wR = 0.1352. In 1, one L2-, one 1PP and one water molecule coordinate to the same Zn(II) atom to give a discrete complex with two lattice water molecules. Adjacent [Zn(L)(IPP)(H20)].2H20 molecules interact through π-π stacking between two IPP ligands to form a supramolecular chain. The N-H…O and O-H…N hydrogen bonds further stabilize the supramolecular chain structure of 1. The solid state luminescent property of 1 was also studied.展开更多
A new Cu(Ⅱ) coordination polymer, [Cu(L1)(L2)](1), was synthesized under hydrothermal conditions(H_2L1 = 4-(carboxymethoxy)benzoic acid, L2 = 2-(4-fluorophenyl)-1 H-imidazo[4,5-f][1,10]phenanthroline). Crystallograph...A new Cu(Ⅱ) coordination polymer, [Cu(L1)(L2)](1), was synthesized under hydrothermal conditions(H_2L1 = 4-(carboxymethoxy)benzoic acid, L2 = 2-(4-fluorophenyl)-1 H-imidazo[4,5-f][1,10]phenanthroline). Crystallographic data for 1: triclinic, space group P1 with a = 9.750(5), b = 10.148(5), c = 12.869(5) ?, α = 104.904(5), β = 102.133(5), γ = 95.219(5)°, V = 1188.7(10) ?~3, Z = 2, C_(28)H_(17)FN_4O_5Cu, Mr = 572.01, D_c = 1.598 g/cm^3, F(000) = 582, μ(MoKa) = 0.977 mm^(-1), R = 0.0474 and w R = 0.1144. The TGA behaviors and luminescence of 1 have been studied in detail. The L1 dianions link neighboring Cu(Ⅱ) atoms in a bis-chelating mode, yielding a one-dimensional chain structure along the b axis. The L2 ligands are attached on one side of the chain through chelating the Cu(Ⅱ) atoms, and are stacked with those of an adjacent chain through π-π interactions, yielding a layer structure. Additionally, the N–H???O hydrogen bonds further stabilize the structure of 1.展开更多
The title compound (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thiazol-2-amine with 2,4-dichlorobe...The title compound (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thiazol-2-amine with 2,4-dichlorobenzaldehyde, and its crystal structure was determined by singlecrystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.9748(4), b = 10.1803(5), c = 11.4603(6), α = 102.882(1), β = 100.253(1), γ = 104.457(1)°, V = 850.95(7)3, Z = 2, F(000) = 392, C16H15Cl2N5S, Mr = 380.29, Dc = 1.484 g/cm3, S = 1.095, μ = 0.512 mm-1, the final R = 0.0301 and wR = 0.0965 for 3334 observed reflections (I 〉 2σ(I)). The preliminary antitumor activity shows that for the title compound the IC50 of Hela is 0.175 μmol/mL and that of Bel7402 is 0.156 μmol/mL.展开更多
Two new Cd(Ⅱ) coordination polymers, [Cd(PT)(1,4-BDC)0.5]n (1) and [Cd(PT) (1,3-BDC)0.5]n (2) (HPT = 3-(pyridin-2-yl)-1,2,4-triazole, 1,4-H2BDC = 1,4-benzenedicarboxylic acid, 1,3-H2BDC = 1,3-benzene...Two new Cd(Ⅱ) coordination polymers, [Cd(PT)(1,4-BDC)0.5]n (1) and [Cd(PT) (1,3-BDC)0.5]n (2) (HPT = 3-(pyridin-2-yl)-1,2,4-triazole, 1,4-H2BDC = 1,4-benzenedicarboxylic acid, 1,3-H2BDC = 1,3-benzenedicarboxylic acid), have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis and IR. Complexes 1 and 2 are both three-dimensional coordination polymers with two-dimensional sheet structures bridged by the deprotonated carboxylate ligands. In 1, 1,4-BDC2- bridges the layered network to generate a quadrangular framework, and 2 owns a sexangular framework, which was caused by the different steric hindrance between 1,4-BDC^2- and 1,3-BDC^2-. Their thermal stabilities and photoluminescent properties have been also investigated.展开更多
A new ID coordination polymer, [Cda(L1)2(L2)2].H2O (1, H2L1 = 4-(carboxy- methoxy)benzoic acid and L2 = 2-(4-fluorophenyl)-I H-imidazo[4,5-f][1,10]phenanthroline), has been hydrothermally synthesized and cha...A new ID coordination polymer, [Cda(L1)2(L2)2].H2O (1, H2L1 = 4-(carboxy- methoxy)benzoic acid and L2 = 2-(4-fluorophenyl)-I H-imidazo[4,5-f][1,10]phenanthroline), has been hydrothermally synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 9.985(5), b = 10.768(5), c = 12.512(5) A, a = 68.959(5), β = 80.354(5), γ = 79.663(5)°, V= 1227.4(10) A3, Z = 1, C56H36Cd2F2N8O11, Mr = 1259.73, Dc = 1.704 g/cm3, F(000) = 630, μ(MoKa) = 0.949 mm-1, R = 0.0261 and wR = 0.0655. The L1 anions link the neighboring Cd(II) atoms to form a 1D double chain structure. The L2 ligands are alternately located on both sides of the double chains. More interestingly, the lateral L2 ligands from adjacent double chains are paired to furnish strong π-π interactions, yielding a 2D supramolecular layer. N-H...O, O-H...N and O-H...O hydrogen bonds further stabilize the structure of 1. The luminescent property of 1 was studied in solid state at room temperature.展开更多
A three-dimensional(3 D) Cd-based metal-organic framework(MOF), [Cd(H2 O)(PAA)]·(H2 O)2(complex 1) has been rationally designed and synthesized by using 4-(pyrimidin-5-yl)isophthalic acid(H2 PAA) and Cd(NO3)2...A three-dimensional(3 D) Cd-based metal-organic framework(MOF), [Cd(H2 O)(PAA)]·(H2 O)2(complex 1) has been rationally designed and synthesized by using 4-(pyrimidin-5-yl)isophthalic acid(H2 PAA) and Cd(NO3)2·4 H2 O under solvothermal conditions. The structure has been determined by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectra, powder X-ray diffraction(PXRD) and thermogravimetric analyses(TGA). Single-crystal X-ray diffraction analyses reveal that complex 1 consists of a 3 D network with one-dimensional(1 D) channels. Moreover, 1 exhibits strong luminescent emission in solid state at room temperature. Fluorescence quenching was observed when treating complex 1 with picric acid(PA), 2,4-dinitrophenylhydrazine(2,4-DNPH) and p-nitroaniline(p-NA), revealing that the as-synthesized complex could be used as a luminescence sensor for the detection of PA, 2,4-DNPH and p-NA.展开更多
The title compound has been synthesized by the reaction of 4-tert-butyl-5-(1,2,4- triazol-1-yl)-2-aminothiazole with propionic anhydride, and its crystal structure was determined by single-crystal X-ray diffraction....The title compound has been synthesized by the reaction of 4-tert-butyl-5-(1,2,4- triazol-1-yl)-2-aminothiazole with propionic anhydride, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with α = 18.441(2), b = 8.3284(9), c = 19.257(2) A, Z = 8, V = 2957.5(5) A3, Mr = 279.37, Dc = 1.255 mg/m3, S = 1.033, μ =0.219 mm^-1, F(000) = 1184, the final R = 0.0349 and wR = 0.0876 for 2629 observed reflections (I 〉 2σ(I)). X-ray crystal structure presents the intermolecular N–H···N hydrogen bond, which plays an important role in stabilizing the crystal structure. The preliminary bioassay indicates that the title compound exhibits potent fungicidal activity against R. Solani (25 mg/L) with inhibition rate of 80.0%.展开更多
A new energetic complex, Ni(3,4'-Hbpt)2(Hoba)2(H20)2 (3,4'-Hbpt = 3-(3-pyridyl)- 5-(4'-pyridyl)-l-H-l,2,4-triazole and H2oba = 4,4'-oxybis(benzoic acid)), has been synthesized by hydrothermal reactio...A new energetic complex, Ni(3,4'-Hbpt)2(Hoba)2(H20)2 (3,4'-Hbpt = 3-(3-pyridyl)- 5-(4'-pyridyl)-l-H-l,2,4-triazole and H2oba = 4,4'-oxybis(benzoic acid)), has been synthesized by hydrothermal reaction and characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction, thermogravimetric analyses and X-ray powder diffraction. Single-crystal X-ray diffraction analysis indicates that the complex belongs to the monoclinic system, space group P2j/c with a = 10.2357(9), b = 24.594(2), c = 10.4225(9)/k, β = 114.0110(10)°, V = 2396.7(4) A3, Dc = 1.460 g/cm3,μ = 0.482 mm-1, Mr = 1053.63, F(000) = 1088, Z = 2, the final R = 0.0358 and wR = 0.0973 with I 〉 2σ(I). Both 3,4'-Hbpt and H2oba ligands adopt monodentate modes linking one Ni(II) ion to form a 0D motif. Furthermore, the 0D motifs are linked into a 3D supramolecular architecture with hydrogen bonds. In addition, the catalytic performance for thermal decomposition of the efficacy of ammonium perchlorate (AP) is explored by differential scanning calorimetry (DSC), which indicates that the complex is a good candidate for a promoter of the thermal decomposition of ammonium perchlorate.展开更多
基金Science and Technology Fund of NWPU Under Grant No. M450211 Seed Fund of NWPU Under Grant No. Z200729
文摘Based on energy dissipation and structural control principle, a new structural configuration, called the megasub controlled structure (MSCS) with friction damped braces (FDBs), is first presented. Meanwhile, to calculate the damping coefficient in the slipping state a new analytical method is proposed. The damping characteristics of one-storey friction damped braced frame (FDBF) are investigated, and the influence of the structural parameters on the energy dissipation and the practical engineering design are discussed. The nonlinear dynamic equations and the analytical model of the MSCS with FDBs are established. Three building structures with different structural configurations, which were designed with reference to the conventional mega-sub structures such as used in Tokyo City Hall, are comparatively investigated. The results illustrate that the structure presented in the paper has excellent dynamic properties and satisfactory control effectiveness.
基金National Natural Science Foundation of China under Grant No.51878274。
文摘The newly proposed mega sub-controlled structure system(MSCSS)and related studies have drawn the attention of civil engineers for practice in improving the performance and enhancing the structural effectiveness of mega frame structures.However,there is still a need for improvement to its basic structural arrangement.In this project,an advanced,reasonable arrangement of mega sub-controlled structure models,composed of three mega stories with different numbers and arrangements of substructures,are designed to investigate the control performance of the models and obtain the optimal model configuration(model with minimum acceleration and displacement responses)under strong earthquake excitation.In addition,the dynamic parameters that affect the performance effectiveness of the optimal model of MSCSS are studied and discussed.The area of the relative stiffness ratio RD,with different mass ratio MR,within which the acceleration and displacement of the optimal model of MSCSS reaches its optimum(minimum)value is considered as an optimum region.It serves as a useful tool in practical engineering design.The study demonstrates that the proposed MSCSS configuration can efficiently control the displacement and acceleration of high rise buildings.In addition,some analytical guidelines are provided for selecting the control parameters of the structure.
基金Science and Technology Fund of NWPU Under Grant No. M450211Seed Fund of NWPU Under Grant No. Z200534
文摘The recently proposed mega-sub controlled structure (MSCS), a new type of structure associated with the design and construction of super-tall buildings, has attracted the attention of designers for use in enhancing the control effectiveness in mega-frame buildings. In this paper, a dynamic equation and method to assemble parameter matrixes for a mega-sub controlled structure under random wind loads is presented. Semi-active control using magnetorheological dampers for the MSCS under random wind loads is investigated, and is compared with a corresponding system without dampers. A parametric study of the relative stiffness ratio and relative mass ratio between the mega-frame and the substructures, as well as the additional column stiffness ratio that influences the response control effectiveness of the MSCS, is discussed. The studies reveal, for the first time, that different control mechanisms exist. The results indicate that the proposed structure employing semi-active control can offer an effective control mechanism. Guidelines for selecting parameters are provided based on the analytical study.
基金supported by the National Natural Science Foundation of China (10872096)the Open Fund of State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology (KFJJ09-13)
文摘An oblique detonation wave for a Mach 7 inlet flow over a long enough wedge of 30 turning angle is simulated numerically using Euler equation and one-step rection model.The fifth-order WENO scheme is adopted to capture the shock wave.The numerical results show that with the compression of the wedge wall the detonation wave front structure is divided into three sections:the ZND model-like strcuture,single-sided triple point structure and dual-headed triple point strucuture.The first structure is the smooth straight,and the second has the characteristic of the triple points propagating dowanstream only with the same velocity,while the dual-headed triple point structure is very complicated.The detonation waves facing upstream and downstream propagate with different velocities,in which the periodic collisions of the triple points cause the oscillation of the detonation wave front.This oscillation process has temporal and spatial periodicity.In addition,the triple point trace are recorded to obtain different cell structures in three sections.
基金The project was supported by NNSFC (20172031 29832050) the NSF of shandong province (Y2003B01) and the Fund for the Doctoral Program of Higher Education
文摘The crystal structure of the title compound, 2-isobutyl-6-(2?4?dichlorophenyl)- imidazo[2,1-b]-1,3,4-thiadiazole (C14H13Cl2N3S, Mr = 326.23), has been synthesized by the treatment of 2-amino-5-isobutyl-1,3,4-thiadiazole with a-chloroaceto-2,4-dichlorophenone and determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 12.483(7), b = 8.420(4), c = 14.998(8) ? b = 105.770(10)? V = 1517.0(14) 3, Z = 4, Dc = 1.428 g/cm3, S = 0.902, m(MoKa) = 0.558 mm-1, F (000) = 672, R = 0.0579 and wR = 0.1186. The X-ray analytic results showed that all ring atoms in the imidazothiadiazole moiety are almost coplanar. The dihedral angel between the phenyl group and hetero-cycle is 16.8(0.2)?
基金A Project supported by the National Natural Science Foundation of China (Nos.9487001,49173131)
文摘The continental margin of Northeast China and its adjacent areas is composed of two tectonic belts. The inner belt is a collage made up of fragments resulting from breakup of an old land with the north part related to the evolution of the Palaeo-Asian Ocean and the south part to the evolution of the Palaeo - Pacific Ocean. The outer belt is a Mesozoic terrane, which is a melange made up of fragments of the Late Palaeozoic to Early Mesozoic oceanic crust and the Late M esozoic trench accumulations.There existed another ocean-the Palaeo - Pacific Ocean during the period from the closing of the Palaeo-Asian Ocean to the opening of the modern Pacific Ocean or from the Devonian to Jurassic, and the ocean-floor spreading of the Palaeo - Pacific Ocean led to the formation of the above-mentioned tectonic belts. The development of the strike-slip fault system after the Late Jurassic and the formation of an epicontinental volcano -plutonic rock belt in the Late Cretaceous to Early Tertiary are attributed to the interaction between the modern Pacific plate and the Eurasian plate.
基金supported by the National Natural Science Foundation of China (10972182, 10772147, 10632030)the National Basic Research Program of China (2006CB 601202)+3 种基金the Doctorate Foundation of Northwestern Polytechnical University (CX200908)the Graduate Starting Seed Fund of Northwestern Polytechnical University (Z200930)the NPU Foundation for Fundamental Researchthe Open Foundation of State Key Laboratory of Structural Analysis of Industrial Equipment (GZ0802)
文摘On the basis of the finite element analysis, the elastic wave propagation in cellular structures is investigated using the symplectic algorithm. The variation principle is first applied to obtain the dual variables and the wave propagation problem is then transformed into two-dimensional (2D) symplectic eigenvalue problems, where the extended Wittrick-Williams algorithm is used to ensure that no phase propagation eigenvalues are missed during computation. Three typical cellular structures, square, triangle and hexagon, are introduced to illustrate the unique feature of the symplectic algorithm in higher-frequency calculation, which is due to the conserved properties of the structure-preserving symplectic algorithm. On the basis of the dispersion relations and phase constant surface analysis, the band structure is shown to be insensitive to the material type at lower frequencies, however, much more related at higher frequencies. This paper also demonstrates how the boundary conditions adopted in the finite element modeling process and the structures' configurations affect the band structures. The hexagonal cells are demonstrated to be more efficient for sound insulation at higher frequencies, while the triangular cells are preferred at lower frequencies. No complete band gaps are observed for the square cells with fixed-end boundary conditions. The analysis of phase constant surfaces guides the design of 2D cellular structures where waves at certain frequencies do not propagate in specified directions. The findings from the present study will provide invaluable guidelines for the future application of cellular structures in sound insulation.
基金supported by State Key Laboratory of Earthquake Dynamics (project No.LED2010A03)Wenchuan Earthquake Fault Scientific Drilling Project (WFSD-09)
文摘This paper reports internal structures of a wide fault zone at Shenxigou,Dujiangyan,Sichuan province,China,and high-velocity frictional properties of the fault gouge collected near the coseismic slip zone during the 2008 Wenchuan earthquake.Vertical offset and horizontal displacement at the trench site were 2.8 m(NW side up)and 4.8 m(right-lateral),respectively.The fault zone formed in Triassic sandstone,siltstone,and shale about 500 m away from the Yingxiu-Beichuan fault,a major fault in the Longmenshan fault system.A trench survey across the coseismic fault,and observations of outcrops and drill cores down to a depth of 57 m revealed that the fault zone consists of fault gouge and fault breccia of about0.5 and 250-300 m in widths,respectively,and that the fault strikes N62°E and dips 68° to NW.Quaternary conglomerates were recovered beneath the fault in the drilling,so that the fault moved at least 55 m along the coseismic slip zone,experiencing about 18 events of similar sizes.The fault core is composed of grayish gouge(GG) and blackish gouge(BG) with very complex slip-zone structures.BG contains low-crystalline graphite of about 30 %.High-velocity friction experiments were conducted at normal stresses of 0.6-2.1 MPa and slip rates of 0.1-2.1 m/s.Both GG and BG exhibit dramatic slip weakening at constant high slip rates that can be described as an exponential decay from peak friction coefficient lpto steadystate friction coefficient lssover a slip-weakening distance Dc.Deformation of GG and BG is characterized by overlapped slip-zone structures and development of sharp slickenside surfaces,respectively.Comparison of our data with those reported for other outcrops indicates that the high-velocity frictional properties of the Longmenshan fault zones are quite uniform and the high-velocity weakening must have promoted dynamic rupture propagation during the Wenchuan earthquake.
基金Project supported by the National Natural Science Foundation of China(Grant No.11404008)the Innovation Training Program for College Students of Shanxi Province of China(Grant No.S201910721061)the Innovation Training Program for College Students of Baoji University of Arts and Sciences(Grant No.20191XJ087)。
文摘Bimetallic clusters have aroused tremendous interest because the property changes like structure,size,and composition have occurred.Herein,a structural search of the global minimum for anionic LiMg_(n)^(-)(n=2-11) clusters is performed using an efficient crystal structure analysis by particle swarm optimization(CALYPSO) structural searching program with subsequent density functional theory(DFT) calculations.A great variety of low energetic isomers are converged,and the most stable ones are confirmed by comparing their total energy of each size.It is found that the LiMg_(n)^(-)clusters are structurally consistent with corresponding Mg clusters anions except for LiMg_(5)^(-)and LiMg_(7)^(-).In all the doped clusters,the Li atom prefers to occupy the convex position.Simulated photoelectron spectra(PES),Infrared(IR),and Raman spectra of LiMg_(n)^(-)could be used as an essential evidence for identifying cluster structures experimentally in the future.Stability study reveals that a tower-like structure of LiMg_(9)^(-)has prominent stability and can be identified as a magic number cluster.The reason might be that there are both closed-shell 1S^(2)1P^(6)1D^(10)2S^(2) electronic configurations and stronger Li-Mg bonds caused by sp hybridization in the LiMg_(9)^(-)cluster.
基金Supported by the Scientific Research Foundation of Higher Education Institutions of Ningxia(No.NGY2017004)the National Natural Science Foundation of China(Nos.21763022 and 50564043)the Major Innovation Projects for Building First-class Universities in China’s Western Region(No.ZKZD2017003)
文摘A new complex Mn(Htpc)2(H2O)2(1, Htpc = 5-(trifluoromethyl)pyridine-2-carboxylic acid) has been synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. 1 belongs to triclinic system, space group P■ with a = 5.0885(10), b = 6.5574(13), c = 14.016(3) ?, β = 90.67(3)o, V = 436.34(17) ?3, Z = 1, Dc = 1.793 g·cm-3, μ = 0.855 mm-1, Mr = 471.18, F(000) = 235, the final R = 0.0454 and wR = 0.1134 for 1998 observed reflections with I > 2σ(I). The Mn(Ⅱ) ion is coordinated by two N and two O atoms from two Htpc as well as two O atoms from two coordinated water molecules, forming a 0D motif with distorted octahedral coordinate geometry. The adjacent 0D units are linked into 1D chains through hydrogen bond O(1W)–H(1 WB)···O(2), and via the O(1 W)–H(1 WA)···O(1) hydrogen bond the neighboring 1D chains are connected into a 2D supramolecular layer. Moreover, the interactions between the ligand and its complex with CT-DNA were studied by EtBr fluorescence probe, which suggested that these compounds bind to CT-DNA through an intercalation mode. The binding constants were 0.41 and 0.64 for Htpc and complex 1, respectively. It indicates that the interaction between complex 1 and CT-DNA is stronger than Htpc.
基金Supported by the Foundation for Jilin of China of 2014 Human Resources Developmentthe Natural Science Project Foundation of Education Department of Jilin Province(No.2015358)the Natural Science Foundation of Changchun Normal University(No.201203)
文摘Zn(Ⅱ), Ni(Ⅱ) and Co(Ⅱ) compounds(1~3) based on 2-(2-pyridyl)benzothiazole(bpt) and terephthalic acid(PTA) were synthesized. The crystal structures of [Zn(bpt)(PTA)2](1), [Ni(bpt)(PTA)2](2), and [Co(bpt)(PTA)2](3) have been determined by single-crystal X-ray diffraction analysis, which shows that all the three complexes belong to monoclinic system with space group P21/c. Time-dependent density functional theory(TD-DFT) calculation is performed on a reference structure of compound 3. The excited electrons mainly localized at the π* of ligand 2-(2-pyridyl)benzothiazole, which will be convenient for them to bind with the DNA reacting sites. Fluorescence spectroscopy, ultraviolet(UV) spectroscopy and viscosity were used to characterize the interaction of the compounds with Calf thymus DNA(CT-DNA). The results indicate that compounds 1~3 bind to CT-DNA and have a strong interaction with DNA. The compounds can probably bind to CT-DNA via a non-intercalative mode as concluded by studying the viscosity of a DNA solution in the presence of the compounds. This combination can effectively break DNA, which speculates that these three compounds may interact with the cancer cell DNA in this binding mode, thereby damaging the cancer cells.
基金This work was supported by the NSF for Distinguished Young Scientist of China (20425104) and the NSF of Fujian Province (A0420002, 2005I017)
文摘A new Cu(Ⅱ) complex [Cu(4-cba)(1,10-phen)(H2O)2](NO3) (4-Hcba = 4-cyanobenzoic acid) has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data: C20H16CuN4O7, Mr= 487.91, triclinic, space group PI, a = 7.8420(2), b = 9.1070(2), c = 15.1140(6) A, a = 76.889(9), β = 81.332(11), γ = 74.844( 11)°, V = 1009.89(5) A^3, Z = 2, Dc = 1.605 g/cm^3, F(000) = 498, μ = 1.134 mm^-1, the final R = 0.0379 and wR = 0.0865 for 2977 observed reflections with 1 〉 2σ(Ⅰ). The Cu(Ⅱ) atom is coordinated by two terminal water molecules, one chelating 1,10-phen molecule and one monodentate 4-cba ligand to form a slightly distorted square pyramid. The title complex molecules are connected through hydrogen bonds and π-π stacking interactions to generate a 2D layered network. The thermogravimetric analysis of the title complex has also been discussed.
基金Supported by the Institute Foundation of Siping City(No.2013036)
文摘A new Zn(II) complex, [Zn(L)(IPP)(H2O)]'2H2O(1, H2L = 3-carboxy-l-car- boxymethyl-2-oxidopyridinium and IPP = 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol), was synthesized under hydrothermal conditions and its structure was determined by single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pi with a = 8.5023(17), b = 9.945(2), c = 15.573(3) A, a = 95.87(3), β = 102.56(3), y = 100.73(3)°, V= 1248.7(4) A3, Z= 2, C27H22N5O9Zn, Mr= 625.87, Dc = 1.665 g/cm^3, F(000) = 642, μ(MoKa) = 1.053 mm^-1, R = 0.0474 and wR = 0.1352. In 1, one L2-, one 1PP and one water molecule coordinate to the same Zn(II) atom to give a discrete complex with two lattice water molecules. Adjacent [Zn(L)(IPP)(H20)].2H20 molecules interact through π-π stacking between two IPP ligands to form a supramolecular chain. The N-H…O and O-H…N hydrogen bonds further stabilize the supramolecular chain structure of 1. The solid state luminescent property of 1 was also studied.
基金Supported by the National Natural Science Foundation of China(No.21607051)Institute Foundation of Siping City(No.2017057)the Science and Technology Research Projects of the Education Committee of Jilin Province(No.JJKH20180779KJ)
文摘A new Cu(Ⅱ) coordination polymer, [Cu(L1)(L2)](1), was synthesized under hydrothermal conditions(H_2L1 = 4-(carboxymethoxy)benzoic acid, L2 = 2-(4-fluorophenyl)-1 H-imidazo[4,5-f][1,10]phenanthroline). Crystallographic data for 1: triclinic, space group P1 with a = 9.750(5), b = 10.148(5), c = 12.869(5) ?, α = 104.904(5), β = 102.133(5), γ = 95.219(5)°, V = 1188.7(10) ?~3, Z = 2, C_(28)H_(17)FN_4O_5Cu, Mr = 572.01, D_c = 1.598 g/cm^3, F(000) = 582, μ(MoKa) = 0.977 mm^(-1), R = 0.0474 and w R = 0.1144. The TGA behaviors and luminescence of 1 have been studied in detail. The L1 dianions link neighboring Cu(Ⅱ) atoms in a bis-chelating mode, yielding a one-dimensional chain structure along the b axis. The L2 ligands are attached on one side of the chain through chelating the Cu(Ⅱ) atoms, and are stacked with those of an adjacent chain through π-π interactions, yielding a layer structure. Additionally, the N–H???O hydrogen bonds further stabilize the structure of 1.
基金Supported by the Natural Science Foundation of Hunan Province (No. 07JJ302)
文摘The title compound (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thiazol-2-amine with 2,4-dichlorobenzaldehyde, and its crystal structure was determined by singlecrystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.9748(4), b = 10.1803(5), c = 11.4603(6), α = 102.882(1), β = 100.253(1), γ = 104.457(1)°, V = 850.95(7)3, Z = 2, F(000) = 392, C16H15Cl2N5S, Mr = 380.29, Dc = 1.484 g/cm3, S = 1.095, μ = 0.512 mm-1, the final R = 0.0301 and wR = 0.0965 for 3334 observed reflections (I 〉 2σ(I)). The preliminary antitumor activity shows that for the title compound the IC50 of Hela is 0.175 μmol/mL and that of Bel7402 is 0.156 μmol/mL.
基金supported by the National Natural Science Foundation of China(21501012 and 51203012)
文摘Two new Cd(Ⅱ) coordination polymers, [Cd(PT)(1,4-BDC)0.5]n (1) and [Cd(PT) (1,3-BDC)0.5]n (2) (HPT = 3-(pyridin-2-yl)-1,2,4-triazole, 1,4-H2BDC = 1,4-benzenedicarboxylic acid, 1,3-H2BDC = 1,3-benzenedicarboxylic acid), have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis and IR. Complexes 1 and 2 are both three-dimensional coordination polymers with two-dimensional sheet structures bridged by the deprotonated carboxylate ligands. In 1, 1,4-BDC2- bridges the layered network to generate a quadrangular framework, and 2 owns a sexangular framework, which was caused by the different steric hindrance between 1,4-BDC^2- and 1,3-BDC^2-. Their thermal stabilities and photoluminescent properties have been also investigated.
基金Supported by Jilin Province Science and Technology Development projects (No. 201105085)
文摘A new ID coordination polymer, [Cda(L1)2(L2)2].H2O (1, H2L1 = 4-(carboxy- methoxy)benzoic acid and L2 = 2-(4-fluorophenyl)-I H-imidazo[4,5-f][1,10]phenanthroline), has been hydrothermally synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 9.985(5), b = 10.768(5), c = 12.512(5) A, a = 68.959(5), β = 80.354(5), γ = 79.663(5)°, V= 1227.4(10) A3, Z = 1, C56H36Cd2F2N8O11, Mr = 1259.73, Dc = 1.704 g/cm3, F(000) = 630, μ(MoKa) = 0.949 mm-1, R = 0.0261 and wR = 0.0655. The L1 anions link the neighboring Cd(II) atoms to form a 1D double chain structure. The L2 ligands are alternately located on both sides of the double chains. More interestingly, the lateral L2 ligands from adjacent double chains are paired to furnish strong π-π interactions, yielding a 2D supramolecular layer. N-H...O, O-H...N and O-H...O hydrogen bonds further stabilize the structure of 1. The luminescent property of 1 was studied in solid state at room temperature.
基金supported by the Natural Science Foundation of Shaanxi Province(2018JQ2079,2018JQ2040,2018JM2055)
文摘A three-dimensional(3 D) Cd-based metal-organic framework(MOF), [Cd(H2 O)(PAA)]·(H2 O)2(complex 1) has been rationally designed and synthesized by using 4-(pyrimidin-5-yl)isophthalic acid(H2 PAA) and Cd(NO3)2·4 H2 O under solvothermal conditions. The structure has been determined by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectra, powder X-ray diffraction(PXRD) and thermogravimetric analyses(TGA). Single-crystal X-ray diffraction analyses reveal that complex 1 consists of a 3 D network with one-dimensional(1 D) channels. Moreover, 1 exhibits strong luminescent emission in solid state at room temperature. Fluorescence quenching was observed when treating complex 1 with picric acid(PA), 2,4-dinitrophenylhydrazine(2,4-DNPH) and p-nitroaniline(p-NA), revealing that the as-synthesized complex could be used as a luminescence sensor for the detection of PA, 2,4-DNPH and p-NA.
基金supported by the Natural Science Foundation of Hunan Province(No.12jj3012)
文摘The title compound has been synthesized by the reaction of 4-tert-butyl-5-(1,2,4- triazol-1-yl)-2-aminothiazole with propionic anhydride, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with α = 18.441(2), b = 8.3284(9), c = 19.257(2) A, Z = 8, V = 2957.5(5) A3, Mr = 279.37, Dc = 1.255 mg/m3, S = 1.033, μ =0.219 mm^-1, F(000) = 1184, the final R = 0.0349 and wR = 0.0876 for 2629 observed reflections (I 〉 2σ(I)). X-ray crystal structure presents the intermolecular N–H···N hydrogen bond, which plays an important role in stabilizing the crystal structure. The preliminary bioassay indicates that the title compound exhibits potent fungicidal activity against R. Solani (25 mg/L) with inhibition rate of 80.0%.
基金Supported by the National Natural Science Foundation of China(No.21263019)
文摘A new energetic complex, Ni(3,4'-Hbpt)2(Hoba)2(H20)2 (3,4'-Hbpt = 3-(3-pyridyl)- 5-(4'-pyridyl)-l-H-l,2,4-triazole and H2oba = 4,4'-oxybis(benzoic acid)), has been synthesized by hydrothermal reaction and characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction, thermogravimetric analyses and X-ray powder diffraction. Single-crystal X-ray diffraction analysis indicates that the complex belongs to the monoclinic system, space group P2j/c with a = 10.2357(9), b = 24.594(2), c = 10.4225(9)/k, β = 114.0110(10)°, V = 2396.7(4) A3, Dc = 1.460 g/cm3,μ = 0.482 mm-1, Mr = 1053.63, F(000) = 1088, Z = 2, the final R = 0.0358 and wR = 0.0973 with I 〉 2σ(I). Both 3,4'-Hbpt and H2oba ligands adopt monodentate modes linking one Ni(II) ion to form a 0D motif. Furthermore, the 0D motifs are linked into a 3D supramolecular architecture with hydrogen bonds. In addition, the catalytic performance for thermal decomposition of the efficacy of ammonium perchlorate (AP) is explored by differential scanning calorimetry (DSC), which indicates that the complex is a good candidate for a promoter of the thermal decomposition of ammonium perchlorate.