The title compound, {(H3O)4(NH4)4[Mo8O28]?2H2O}n 1, has been synthesized from the reaction of Zn(OAc)2 and (NH4)6Mo7O24?4H2O in aqueous solution at ambient tempe- rature, and its crystal structure was determined by ...The title compound, {(H3O)4(NH4)4[Mo8O28]?2H2O}n 1, has been synthesized from the reaction of Zn(OAc)2 and (NH4)6Mo7O24?4H2O in aqueous solution at ambient tempe- rature, and its crystal structure was determined by X-ray single-crystal analysis with the following crystallographic data: monoclinic system, space group P21/n, a = 9.5234(6), b = 11.3235(8), c = 14.8812(10) ?, β = 107.467(2)o, V = 1530.77(18) ?3, Z = 4, F(000) = 1336, μ = 3.293 mm-1 and Dc = 3.037 g/cm3. The final R = 0.0619 for 2691 observed reflections (I > 2σ(I)). X-ray crys- tal structure analysis showed that the novel one-dimensional chain compound is built up by basic {Mo8O28} units via single μ2-O, and such chains are further linked into a three-dimensional net- work by hydrogen bonds.展开更多
The title compound,poly[N-[1-(3-pydidyl)ethylidene]-4H-1,2,4-triazol-4-amine sil-ver(I) tetrafluoroborate],[Ag(C9H9N5)(BF4)]n,is the result of complexing Ag cation with N-[1-(3-pydidyl)ethylidene]-4H-1,2,4-t...The title compound,poly[N-[1-(3-pydidyl)ethylidene]-4H-1,2,4-triazol-4-amine sil-ver(I) tetrafluoroborate],[Ag(C9H9N5)(BF4)]n,is the result of complexing Ag cation with N-[1-(3-pydidyl)ethylidene]-4H-1,2,4-triazol-4-amine (L),and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group C2/c with a= 18.899(6),b=9.882(2),c=15.472(4),β=120.158(3)°,V=2498.5(11)3,C9H9AgBF4N5,Mr= 381.89,Dc=2.031 g/cm3,μ(MoKα)=1.659 mm-1,F(000)=1488,Z=8,the final R=0.0441 and wR=0.0619 for 1094 observed reflections (I 〉 2σ(I)).In the structure,ligand L bridges the two metal Ag(I) centers in a bidentate fashion and each metal ion coordinates with two nitrogen atoms,forming a one-dimensional rectangular chain.The neighboring chains are connected by two additional Ag-N weak interactions into a 3D framework structure.The title compound shows blue fluorescence property at room temperature.展开更多
A new type of phosphor Sr2ZrO4 with one-dimensional structure was prepared bysolid reaction and its luminescence is seen at room temperature. The excitation and emissionspectra were measured and display broad maximum ...A new type of phosphor Sr2ZrO4 with one-dimensional structure was prepared bysolid reaction and its luminescence is seen at room temperature. The excitation and emissionspectra were measured and display broad maximum at 354 nm and 386 nm respectively. Themechanism of this luminescence is ascribed to charge transfer.展开更多
The mononuclear complex [Ag(C6H6NCl)2](ClO() has been prepared and structurally analyzed by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group C2/c with unit cell paramete...The mononuclear complex [Ag(C6H6NCl)2](ClO() has been prepared and structurally analyzed by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group C2/c with unit cell parameters: a=15.5314(2), b=8.0247(8), c=15.3701(2)?.β=118.832(2)°, V=1678.2(3)?3, Z=4, Mr=462.46, Dc=1.830Mg/m3, F(000)=912, μ(MoKα) = 1.694cm-1. The final R and wR are 0.0472 and 0.1272 for 1484 observed reflections with I≥3σ(I). The Ag atom is coordinated by two nitrogen atoms of 4-chloromethyl-pyridine in a linear coordination geometry. Each molecule is further linked by the weak interaction between the Cl and Ag atoms to form a one-dimensional chain structure with Ag-Cl distance of 3.240?.展开更多
The reactions of 18 crown 6 with each of K 2(M=Zn, Hg; mnt=1,2 dicyanoethene 1,2 dithiolate, C 2S 2(CN) 2- 2) were studied and novel complexes [K(18 C 6)] 2[Zn(mnt) 2](1) and [K(18 C 6)] 2[Hg(mnt)...The reactions of 18 crown 6 with each of K 2(M=Zn, Hg; mnt=1,2 dicyanoethene 1,2 dithiolate, C 2S 2(CN) 2- 2) were studied and novel complexes [K(18 C 6)] 2[Zn(mnt) 2](1) and [K(18 C 6)] 2[Hg(mnt) 2](2) were characterized by elemental analysis, IR spectrum and X ray diffraction analysis. Complex 1 displays a one dimensional chain of [K(18 C 6)] 2[Zn(mnt) 2] bridged by K O interactions between adjacent [K(18 C 6)] + units. Complex 2 is also a one dimensional chain of [K(18 C 6)] 2[Hg(mnt) 2] bridged by K...S weak interactions between adjacent [K(18 C 6)] + and [Hg(mnt) 2] 2- .展开更多
A quantum chain model of multiple molecule motors is proposed as a mathematical physics theory for the microscopic modeling of classical force-velocity relation and tension transients in muscle fibers. The proposed mo...A quantum chain model of multiple molecule motors is proposed as a mathematical physics theory for the microscopic modeling of classical force-velocity relation and tension transients in muscle fibers. The proposed model was a quantum many-particle Hamiltonian to predict the force-velocity relation for the slow release of muscle fibers, which has not yet been empirically defined and was much more complicated than the hyperbolic relationships. Using the same Hamiltonian model, a mathematical force-velocity relationship was proposed to explain the tension observed when the muscle was stimulated with an alternative electric current. The discrepancy between input electric frequency and the muscle oscillation frequency could be explained physically by the Doppler effect in this quantum chain model. Further more, quantum physics phenomena were applied to explore the tension time course of cardiac muscle and insect flight muscle. Most of the experimental tension transient curves were found to correspond to the theoretical output of quantum two- and three-level models. Mathematical modeling electric stimulus as photons exciting a quantum three-level particle reproduced most of the tension transient curves of water bug Lethocerus maximus.展开更多
In this paper,numerical experiments are carried out to investigate the impact of penalty parameters in the numerical traces on the resonance errors of high-order multiscale discontinuous Galerkin(DG)methods(Dong et al...In this paper,numerical experiments are carried out to investigate the impact of penalty parameters in the numerical traces on the resonance errors of high-order multiscale discontinuous Galerkin(DG)methods(Dong et al.in J Sci Comput 66:321–345,2016;Dong and Wang in J Comput Appl Math 380:1–11,2020)for a one-dimensional stationary Schrödinger equation.Previous work showed that penalty parameters were required to be positive in error analysis,but the methods with zero penalty parameters worked fine in numerical simulations on coarse meshes.In this work,by performing extensive numerical experiments,we discover that zero penalty parameters lead to resonance errors in the multiscale DG methods,and taking positive penalty parameters can effectively reduce resonance errors and make the matrix in the global linear system have better condition numbers.展开更多
A novel one-dimensional chain complex [Zn(dafo)2(H2O)2](NO3)2 was obtained when we tried synthesizing a mixed ligand supramolecular compound of Zinc(II) with dafo and o-phthalic acid. Its structure was determined by ...A novel one-dimensional chain complex [Zn(dafo)2(H2O)2](NO3)2 was obtained when we tried synthesizing a mixed ligand supramolecular compound of Zinc(II) with dafo and o-phthalic acid. Its structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to triclinic system, P-1 space group. The crystallo- graphic data: a=0.6989(4) nm, b=0.8281(5) nm, c=1.0231(5) nm, α=94.934(5)°, β=91.366(7)°, γ=99.820(7)°, V=0.5809(5) nm3, Z=1, F(000)=300, Mr=589.78, Dc=1.686 g/cm3, μ(Mo Kα)=1.130 mm-1, R1=0.0521, wR2 =0.1096. The analysis of the crystal structure indicates that the compound has a one-dimensional chain structure which is formed by hydrogen bonds. The constitutes of the title complex were proved by elemental analysis, IR spectra and thermal analysis. On the basis of the experimentation, the complex was calculated by DFT-B3LYP/LANL2DZ in Gaussian-98w also.展开更多
Two copper complexes [Cu(TTA)(2)(4, 4'-azpy)] (1) and [ Cu- (TTA)(2)(3,3'-azpy)] (2) (HTTA = 1,1,1-trifluoro-3-(2-thenoyl)-acetone, 4,4'-azpy = 4,4'-azobispyridine, 3,3'-azpy = 3,3'-azobispyrid...Two copper complexes [Cu(TTA)(2)(4, 4'-azpy)] (1) and [ Cu- (TTA)(2)(3,3'-azpy)] (2) (HTTA = 1,1,1-trifluoro-3-(2-thenoyl)-acetone, 4,4'-azpy = 4,4'-azobispyridine, 3,3'-azpy = 3,3'-azobispyridine) were synthesized and characterized. The crystal structures were determined by X-ray diffraction analysis. The crystal I belongs to triclinic with space group P1, a = 0.8515(2) nm, b = 0.9259(2) nm, c = 0.9468(2) nm, alpha = 66.126(9)degrees, beta = 79.667(9)degrees, gamma = 90.13(1)degrees, Z = 1, V = 0.6692(2) nm, D-c = 3.425 g/cm(3), mu = 2.113 mm(-1), F(000) = 694, R-1 = 0.0594, wR(2) = 0.1499. The crystal 2 belongs to monoclinic with space group P2(1)/c, a = 1.0661(2) nm, b = 1.4296(3) nm, c = 1.0041(3) nm, beta = 114.50(3)degrees, V = 1.3926(5) nm(3), Z = 2, D-c = 1.646 g/ cm(3), mu = 1.015 mm(-1), F (000) = 694, R-1 = 0.0535, wR(2) = 0.1113. In the crystals of complexes 1 and 2, the copper atoms have distorted octahedral symmetry. The two compounds possess very similar one-dimensional linear chains linked through the rod- like 4,4'-azpy ligands or 3,3'-azpy ligands.展开更多
New functional materials of metal chalcophosphates have been receiving increasing attention due to their wide structural diversity and technologically promising properties.In this work,a quaternary selenophosphate,Cs_...New functional materials of metal chalcophosphates have been receiving increasing attention due to their wide structural diversity and technologically promising properties.In this work,a quaternary selenophosphate,Cs_(2)ZnP_(2)Se_(6),has been successfully prepared by the high-temperature solid state reactions with a modified reactive CsCl flux.Single-crystal X-ray diffraction analyses show that Cs2ZnP2Se6 crystallizes in triclinic space group P1^(-)with a=7.66000(10),b=7.712(7),c=12.7599(3)Å,α=96.911(18)°,β=104.367(14)°,γ=109.276(13)°,V=672.16Å^(3)and Z=2.The major structure feature is the one-dimensional(1D)chain comprised of alternating units of tetrahedrally coordinated Zn^(2+)ions to the ethane-like[P_(2)Se_(6)]^(4–)units,in which counterbalanced Cs cations are accommodated.Significantly,photo-electrochemical measurement indicated that the title compound was photo-responsive under visible-light illumination.Moreover,the optical gap of 2.67 eV for Cs_(2)ZnP_(2)Se_(6)was deduced from the UV/Vis reflectance spectroscopy and theoretical calculation shows an indirect band gap with an electronic transfer excitation of Se-4p to Zn-3d/4p and P-3p orbitals.This work presents not only a novel potential application of metal chalcophosphates,but also a facile approach to prepare alkali metal-containing chalcogenides.展开更多
By use of the Hartree approximation and the method of multiple scales, we investigate quantum solitons and intrinsic localized modes in a one-dimensional antiferromagnetic chain. It is shown that there exist solitons ...By use of the Hartree approximation and the method of multiple scales, we investigate quantum solitons and intrinsic localized modes in a one-dimensional antiferromagnetic chain. It is shown that there exist solitons of two different quantum frequency bands: i.e., magnetic optical solitons and acoustic solitons. At the boundary of the Brillouin zone, these solitons becornc quantum intrinsic localized modes: their quantum eigenfrequencics are below the bottom of the harmonic optical frequency band and above the top of the harmonic acoustic frequency band.展开更多
Searching for one-dimensional(1D)nanostructure with ferromagnetic(FM)half-metallicity is of significance for the development of miniature spintronic devices.Here,based on the first-principles calculations,we propose t...Searching for one-dimensional(1D)nanostructure with ferromagnetic(FM)half-metallicity is of significance for the development of miniature spintronic devices.Here,based on the first-principles calculations,we propose that the 1D CrN nanostructure is a FM half-metal,which can generate the fully spin-polarized current.The ab initio molecular dynamic simulation and the phonon spectrum calculation demonstrate that the 1D CrN nanostructure is thermodynamically stable.The partially occupied Cr-d orbitals endow the nanostructure with FM half-metallicity,in which the half-metallic gap(?s)reaches up to 1.58 eV.The ferromagnetism in the nanostructure is attributed to the superexchange interaction between the magnetic Cr atoms,and a sizable magnetocrystalline anisotropy energy(MAE)is obtained.Moreover,the transverse stretching of nanostructure can effectively modulate?s and MAE,accompanied by the preservation of half-metallicity.A nanocable is designed by encapsulating the CrN nanostructure with a BN nanotube,and the intriguing magnetic and electronic properties of the nanostructure are retained.These novel characteristics render the 1D CrN nanostructure as a compelling candidate for exploiting high-performance spintronic devices.展开更多
The reaction of 5 sulfosalicylic acid (H 3 SSA) with o phenanthroline (Phen), NaOH, and MCl 2 (M=Zn, Cu) affords Zn(H SSA)(Phen)(H 2O) 2 (1) and Cu(H SSA)(Phen)(H 2O) 2 (2), respectively. Compounds 1 an...The reaction of 5 sulfosalicylic acid (H 3 SSA) with o phenanthroline (Phen), NaOH, and MCl 2 (M=Zn, Cu) affords Zn(H SSA)(Phen)(H 2O) 2 (1) and Cu(H SSA)(Phen)(H 2O) 2 (2), respectively. Compounds 1 and 2 are characterized by elemental analysis, IR, fluorescence spectra and single crystal X ray diffraction analysis. The X ray diffraction analyses reveal that compounds 1 and 2 are isostructure. The 5 sulfosalicylic acid ligand loses two protons at the sulfo group and carboxylic group during the reaction. The Zn(II) and Cu(II) ions are six coordinated and adopt distorted octahedral geometry, which are surrounded by two N atoms from Phen, two O atoms from two water molecules, one O atom from —SO 3 group and one oxygen from carboxylic group of the other H SSA. Compounds 1 and 2 have unprecedented one dimensional linear chain formed by a repeating mononuclear structural unit, which is bridged by H SSA. The fluorescence intensity of 1 and 2 is stronger than that of Phen and H 3 SSA at 400 nm. The lowest excited single states of these complexes are assigned as mainly Phen localized 1(π,π *). The antibacterial activity test shows that compounds 1 and 2 strongly inhibit the growth of Streptococcus haemolyticus, Straphylococcus aureus and Escherichia coli .展开更多
Complex [Cu(C7H3NO5)(DMF)(H2O)] was crystallized from the reaction of Cu(CH3COO)2·H2O with 2,6-dicarboxy-4-hydroxypyridine (chelidamic acid) in DMF solution and its structure was characterized by X-ray ...Complex [Cu(C7H3NO5)(DMF)(H2O)] was crystallized from the reaction of Cu(CH3COO)2·H2O with 2,6-dicarboxy-4-hydroxypyridine (chelidamic acid) in DMF solution and its structure was characterized by X-ray crystallography. The crystal is of triclinic, space group P1^- with a = 7.835(2), b = 8.594(2), c = 10.309(2) A, α = 84.16(3), β= 77.94(3), γ= 69.22(3)°, V = 634.4(2) A^3, Mr = 335.76, Z = 2, Dc = 1.758 g/cm^3, λ, = 0.71073 A,μ(MoKoα) = 1.756 mm^-1 and F(000) = 342. The structure was refined to R = 0.0367 and wR = 0.0805 for 2191 observed reflections with I 〉 2σ(I). The crystal structure shows a distorted square pyramidal geometry around the copper(Ⅱ) ion, which is chelated by one nitrogen atom and two oxygen atoms of the chelidamic acid, one water molecule and one DMF molecule. The title, complex displays 1-D hydrogen-bonded double chains.展开更多
The head on collision between two opposite propagating solitary waves is studied in the present paper both numerically and analytically.The interesting result is that no phase shift is observed which is different from...The head on collision between two opposite propagating solitary waves is studied in the present paper both numerically and analytically.The interesting result is that no phase shift is observed which is different from that found in other branches of physics.It is found that the maximum amplitude in the process of the head on collision is close to the linear sum of two colliding solitary waves.展开更多
By means of the Glauber's coherent state method combined with multiple-scale method, this paper investigates the localized modes in a quantum one-dimensional Klein-Gordon chain and finds that the equation of motion o...By means of the Glauber's coherent state method combined with multiple-scale method, this paper investigates the localized modes in a quantum one-dimensional Klein-Gordon chain and finds that the equation of motion of annihilation operator is reduced to the nonlinear Schroedinger equation. Interestingly, the model can support both bright and dark small amplitude travelling and non-travelling nonlinear localized modes in different parameter spaces.展开更多
Periodic photonic structures can provide rich modulation in propagation of light due to well-defined band structures.Especially near band edges,light localization and the effect of near-zero refractive index have attr...Periodic photonic structures can provide rich modulation in propagation of light due to well-defined band structures.Especially near band edges,light localization and the effect of near-zero refractive index have attracted wide attention.However,the practically fabricated structures can only have finite size,i.e.,limited numbers of periods,leading to changes of the light propagation modulation compared with infinite structures.Here,we study the size effect on light localization and near-zero refractive-index propagation near band edges in one-dimensional periodic structures.Near edges of the band gap,as the structure's size shrinks,the broadening of the band gap and the weakening of the light localization are discovered.When the size is small,an added layer on the surface will perform large modulation in the group velocity.Near the degenerate point with Dirac-like dispersion,the zero-refractive-index effects like the zero-phase difference and near-unity transmittance retain as the size changes,while absolute group velocity fluctuates when the size shrinks.展开更多
Two one-dimensional chain-like cyanide-bridged compounds, [Fe(Phen)2(CN)2Ni(Cyclam)](ClO4)2·DMF-2H2O 1 (Cyclam = 1,4,8,11-tetraaza-cyclotetradecane, Phen = 1,10-phenanthroline, and DMF = N,N-dimethylform...Two one-dimensional chain-like cyanide-bridged compounds, [Fe(Phen)2(CN)2Ni(Cyclam)](ClO4)2·DMF-2H2O 1 (Cyclam = 1,4,8,11-tetraaza-cyclotetradecane, Phen = 1,10-phenanthroline, and DMF = N,N-dimethylformamide) and [Fe(Phen)2(CN)2Zn(Cyclam)](PF6)2·CH3CN 2, were prepared by the reaction of [Fe(Phen)2(CN)2]·2H2O with M(Cyclam)^2+ (M = Ni, Zn). In complexes 1 and 2, the metal atoms are connected alternatively with CN groups. X-ray structure and IR analyses for 1 and 2 were performed. Structure analysis revealed that both complexes are centrosymmetric and the geometry around each metal atom is an octahedron. The two complexes crystallize in triclinic with space group of P^1-. For 1, a = 10.439(4), b = 14.976(7), c = 15.914(8)A,α = 83.168(15), β = 74.338(15), γ = 78.023(15)°, V = 2338.3(18)A^3, Z = 2, Mr = 1035.37, Dc = 1.471 g/cm^3, F(000) = 1076,μ = 0.895 mm^-1, the final R = 0.0616 and wR = 0.1414 for 5849 observed reflections (1 〉 2σ(I)). For 2, a = 9.656(6), b = 15.404(9), c = 15.822(10)A, α = 78.68(2), β= 78.917(19), γ = 77.15(2)°, V = 2223(2)A^3, Z = 2, Mr = 1064.87, Dc = 1.587 g/cm^3, F(000) = 1078,μ = 1.032 mm^-1, the final R = 0.0672 and wR = 0.1595 for 6819 observed reflections (I 〉 2σ(I)).展开更多
By means of Muskhelishvili’s method and the technique of generalized conformal mapping,the physical plane problems are transformed into regular mathematical problems in quasicrystals(QCs).The analytical solution to a...By means of Muskhelishvili’s method and the technique of generalized conformal mapping,the physical plane problems are transformed into regular mathematical problems in quasicrystals(QCs).The analytical solution to an elliptical orifice problem with asymmetric cracks in one-dimensional(1D)orthorhombic QCs is obtained.By using the Dugdale-Barenblatt model,the plastic simulation at the crack tip of the elliptical orifice with asymmetric cracks in 1D orthorhombic QCs is performed.Finally,the size of the atomic cohesive force zone is determined precisely,and the size of the atomic cohesive force zone around the crack tip of an elliptical orifice with a single crack or two symmetric cracks is obtained.展开更多
基金This project was supported by the 973 program of the MOST (001CB108906) the National Natural Science Foundation of China (90206040+4 种基金20073048) the NSF of Fujian Province (2002F015 2002J006) the State Key Lab of Chemistry (030065) the Chinese Academy of Sciences
文摘The title compound, {(H3O)4(NH4)4[Mo8O28]?2H2O}n 1, has been synthesized from the reaction of Zn(OAc)2 and (NH4)6Mo7O24?4H2O in aqueous solution at ambient tempe- rature, and its crystal structure was determined by X-ray single-crystal analysis with the following crystallographic data: monoclinic system, space group P21/n, a = 9.5234(6), b = 11.3235(8), c = 14.8812(10) ?, β = 107.467(2)o, V = 1530.77(18) ?3, Z = 4, F(000) = 1336, μ = 3.293 mm-1 and Dc = 3.037 g/cm3. The final R = 0.0619 for 2691 observed reflections (I > 2σ(I)). X-ray crys- tal structure analysis showed that the novel one-dimensional chain compound is built up by basic {Mo8O28} units via single μ2-O, and such chains are further linked into a three-dimensional net- work by hydrogen bonds.
基金supported by the Innovation Program for College Students of Central South University (No. 081053308)Central South University Science Development Foundation (No. 09SDF06)
文摘The title compound,poly[N-[1-(3-pydidyl)ethylidene]-4H-1,2,4-triazol-4-amine sil-ver(I) tetrafluoroborate],[Ag(C9H9N5)(BF4)]n,is the result of complexing Ag cation with N-[1-(3-pydidyl)ethylidene]-4H-1,2,4-triazol-4-amine (L),and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group C2/c with a= 18.899(6),b=9.882(2),c=15.472(4),β=120.158(3)°,V=2498.5(11)3,C9H9AgBF4N5,Mr= 381.89,Dc=2.031 g/cm3,μ(MoKα)=1.659 mm-1,F(000)=1488,Z=8,the final R=0.0441 and wR=0.0619 for 1094 observed reflections (I 〉 2σ(I)).In the structure,ligand L bridges the two metal Ag(I) centers in a bidentate fashion and each metal ion coordinates with two nitrogen atoms,forming a one-dimensional rectangular chain.The neighboring chains are connected by two additional Ag-N weak interactions into a 3D framework structure.The title compound shows blue fluorescence property at room temperature.
文摘A new type of phosphor Sr2ZrO4 with one-dimensional structure was prepared bysolid reaction and its luminescence is seen at room temperature. The excitation and emissionspectra were measured and display broad maximum at 354 nm and 386 nm respectively. Themechanism of this luminescence is ascribed to charge transfer.
文摘The mononuclear complex [Ag(C6H6NCl)2](ClO() has been prepared and structurally analyzed by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group C2/c with unit cell parameters: a=15.5314(2), b=8.0247(8), c=15.3701(2)?.β=118.832(2)°, V=1678.2(3)?3, Z=4, Mr=462.46, Dc=1.830Mg/m3, F(000)=912, μ(MoKα) = 1.694cm-1. The final R and wR are 0.0472 and 0.1272 for 1484 observed reflections with I≥3σ(I). The Ag atom is coordinated by two nitrogen atoms of 4-chloromethyl-pyridine in a linear coordination geometry. Each molecule is further linked by the weak interaction between the Cl and Ag atoms to form a one-dimensional chain structure with Ag-Cl distance of 3.240?.
文摘The reactions of 18 crown 6 with each of K 2(M=Zn, Hg; mnt=1,2 dicyanoethene 1,2 dithiolate, C 2S 2(CN) 2- 2) were studied and novel complexes [K(18 C 6)] 2[Zn(mnt) 2](1) and [K(18 C 6)] 2[Hg(mnt) 2](2) were characterized by elemental analysis, IR spectrum and X ray diffraction analysis. Complex 1 displays a one dimensional chain of [K(18 C 6)] 2[Zn(mnt) 2] bridged by K O interactions between adjacent [K(18 C 6)] + units. Complex 2 is also a one dimensional chain of [K(18 C 6)] 2[Hg(mnt) 2] bridged by K...S weak interactions between adjacent [K(18 C 6)] + and [Hg(mnt) 2] 2- .
基金Project supported by the Fundamental Research Foundation for the Central Universities of China
文摘A quantum chain model of multiple molecule motors is proposed as a mathematical physics theory for the microscopic modeling of classical force-velocity relation and tension transients in muscle fibers. The proposed model was a quantum many-particle Hamiltonian to predict the force-velocity relation for the slow release of muscle fibers, which has not yet been empirically defined and was much more complicated than the hyperbolic relationships. Using the same Hamiltonian model, a mathematical force-velocity relationship was proposed to explain the tension observed when the muscle was stimulated with an alternative electric current. The discrepancy between input electric frequency and the muscle oscillation frequency could be explained physically by the Doppler effect in this quantum chain model. Further more, quantum physics phenomena were applied to explore the tension time course of cardiac muscle and insect flight muscle. Most of the experimental tension transient curves were found to correspond to the theoretical output of quantum two- and three-level models. Mathematical modeling electric stimulus as photons exciting a quantum three-level particle reproduced most of the tension transient curves of water bug Lethocerus maximus.
基金supported by the National Science Foundation grant DMS-1818998.
文摘In this paper,numerical experiments are carried out to investigate the impact of penalty parameters in the numerical traces on the resonance errors of high-order multiscale discontinuous Galerkin(DG)methods(Dong et al.in J Sci Comput 66:321–345,2016;Dong and Wang in J Comput Appl Math 380:1–11,2020)for a one-dimensional stationary Schrödinger equation.Previous work showed that penalty parameters were required to be positive in error analysis,but the methods with zero penalty parameters worked fine in numerical simulations on coarse meshes.In this work,by performing extensive numerical experiments,we discover that zero penalty parameters lead to resonance errors in the multiscale DG methods,and taking positive penalty parameters can effectively reduce resonance errors and make the matrix in the global linear system have better condition numbers.
基金Project supported by the Major State Basic Research Development Program (No. 2003CB214606) the National Natural Science Foundation ofChina (No. 20371039) and the Key Laboratory Research and Establish Program of Shaanxi Education Section (No. 03JS006)
文摘A novel one-dimensional chain complex [Zn(dafo)2(H2O)2](NO3)2 was obtained when we tried synthesizing a mixed ligand supramolecular compound of Zinc(II) with dafo and o-phthalic acid. Its structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to triclinic system, P-1 space group. The crystallo- graphic data: a=0.6989(4) nm, b=0.8281(5) nm, c=1.0231(5) nm, α=94.934(5)°, β=91.366(7)°, γ=99.820(7)°, V=0.5809(5) nm3, Z=1, F(000)=300, Mr=589.78, Dc=1.686 g/cm3, μ(Mo Kα)=1.130 mm-1, R1=0.0521, wR2 =0.1096. The analysis of the crystal structure indicates that the compound has a one-dimensional chain structure which is formed by hydrogen bonds. The constitutes of the title complex were proved by elemental analysis, IR spectra and thermal analysis. On the basis of the experimentation, the complex was calculated by DFT-B3LYP/LANL2DZ in Gaussian-98w also.
基金ProjectsupportedbytheFoundationofOrganicSynthesisKeyLaboratoryofJiangsuProvince (No .KJS0 10 18)
文摘Two copper complexes [Cu(TTA)(2)(4, 4'-azpy)] (1) and [ Cu- (TTA)(2)(3,3'-azpy)] (2) (HTTA = 1,1,1-trifluoro-3-(2-thenoyl)-acetone, 4,4'-azpy = 4,4'-azobispyridine, 3,3'-azpy = 3,3'-azobispyridine) were synthesized and characterized. The crystal structures were determined by X-ray diffraction analysis. The crystal I belongs to triclinic with space group P1, a = 0.8515(2) nm, b = 0.9259(2) nm, c = 0.9468(2) nm, alpha = 66.126(9)degrees, beta = 79.667(9)degrees, gamma = 90.13(1)degrees, Z = 1, V = 0.6692(2) nm, D-c = 3.425 g/cm(3), mu = 2.113 mm(-1), F(000) = 694, R-1 = 0.0594, wR(2) = 0.1499. The crystal 2 belongs to monoclinic with space group P2(1)/c, a = 1.0661(2) nm, b = 1.4296(3) nm, c = 1.0041(3) nm, beta = 114.50(3)degrees, V = 1.3926(5) nm(3), Z = 2, D-c = 1.646 g/ cm(3), mu = 1.015 mm(-1), F (000) = 694, R-1 = 0.0535, wR(2) = 0.1113. In the crystals of complexes 1 and 2, the copper atoms have distorted octahedral symmetry. The two compounds possess very similar one-dimensional linear chains linked through the rod- like 4,4'-azpy ligands or 3,3'-azpy ligands.
基金supported by the National Natural Science Foundation of China (21771179 and 21301175)the Natural Science Foundation of Fujian Province (2019J01133)
文摘New functional materials of metal chalcophosphates have been receiving increasing attention due to their wide structural diversity and technologically promising properties.In this work,a quaternary selenophosphate,Cs_(2)ZnP_(2)Se_(6),has been successfully prepared by the high-temperature solid state reactions with a modified reactive CsCl flux.Single-crystal X-ray diffraction analyses show that Cs2ZnP2Se6 crystallizes in triclinic space group P1^(-)with a=7.66000(10),b=7.712(7),c=12.7599(3)Å,α=96.911(18)°,β=104.367(14)°,γ=109.276(13)°,V=672.16Å^(3)and Z=2.The major structure feature is the one-dimensional(1D)chain comprised of alternating units of tetrahedrally coordinated Zn^(2+)ions to the ethane-like[P_(2)Se_(6)]^(4–)units,in which counterbalanced Cs cations are accommodated.Significantly,photo-electrochemical measurement indicated that the title compound was photo-responsive under visible-light illumination.Moreover,the optical gap of 2.67 eV for Cs_(2)ZnP_(2)Se_(6)was deduced from the UV/Vis reflectance spectroscopy and theoretical calculation shows an indirect band gap with an electronic transfer excitation of Se-4p to Zn-3d/4p and P-3p orbitals.This work presents not only a novel potential application of metal chalcophosphates,but also a facile approach to prepare alkali metal-containing chalcogenides.
基金Project supported by the Natural Science Foundation of Hunan Province, China (Grant No 03JJY6008).
文摘By use of the Hartree approximation and the method of multiple scales, we investigate quantum solitons and intrinsic localized modes in a one-dimensional antiferromagnetic chain. It is shown that there exist solitons of two different quantum frequency bands: i.e., magnetic optical solitons and acoustic solitons. At the boundary of the Brillouin zone, these solitons becornc quantum intrinsic localized modes: their quantum eigenfrequencics are below the bottom of the harmonic optical frequency band and above the top of the harmonic acoustic frequency band.
基金the National Natural Science Foundation of China(Grant Nos.12004137,62071200,and 12104236)Shandong Provincial Natural Science Foundation of China(Grant Nos.ZR2020QA052,ZR2020ZD28,ZR2021MA040,and ZR2021MA060).
文摘Searching for one-dimensional(1D)nanostructure with ferromagnetic(FM)half-metallicity is of significance for the development of miniature spintronic devices.Here,based on the first-principles calculations,we propose that the 1D CrN nanostructure is a FM half-metal,which can generate the fully spin-polarized current.The ab initio molecular dynamic simulation and the phonon spectrum calculation demonstrate that the 1D CrN nanostructure is thermodynamically stable.The partially occupied Cr-d orbitals endow the nanostructure with FM half-metallicity,in which the half-metallic gap(?s)reaches up to 1.58 eV.The ferromagnetism in the nanostructure is attributed to the superexchange interaction between the magnetic Cr atoms,and a sizable magnetocrystalline anisotropy energy(MAE)is obtained.Moreover,the transverse stretching of nanostructure can effectively modulate?s and MAE,accompanied by the preservation of half-metallicity.A nanocable is designed by encapsulating the CrN nanostructure with a BN nanotube,and the intriguing magnetic and electronic properties of the nanostructure are retained.These novel characteristics render the 1D CrN nanostructure as a compelling candidate for exploiting high-performance spintronic devices.
文摘The reaction of 5 sulfosalicylic acid (H 3 SSA) with o phenanthroline (Phen), NaOH, and MCl 2 (M=Zn, Cu) affords Zn(H SSA)(Phen)(H 2O) 2 (1) and Cu(H SSA)(Phen)(H 2O) 2 (2), respectively. Compounds 1 and 2 are characterized by elemental analysis, IR, fluorescence spectra and single crystal X ray diffraction analysis. The X ray diffraction analyses reveal that compounds 1 and 2 are isostructure. The 5 sulfosalicylic acid ligand loses two protons at the sulfo group and carboxylic group during the reaction. The Zn(II) and Cu(II) ions are six coordinated and adopt distorted octahedral geometry, which are surrounded by two N atoms from Phen, two O atoms from two water molecules, one O atom from —SO 3 group and one oxygen from carboxylic group of the other H SSA. Compounds 1 and 2 have unprecedented one dimensional linear chain formed by a repeating mononuclear structural unit, which is bridged by H SSA. The fluorescence intensity of 1 and 2 is stronger than that of Phen and H 3 SSA at 400 nm. The lowest excited single states of these complexes are assigned as mainly Phen localized 1(π,π *). The antibacterial activity test shows that compounds 1 and 2 strongly inhibit the growth of Streptococcus haemolyticus, Straphylococcus aureus and Escherichia coli .
文摘Complex [Cu(C7H3NO5)(DMF)(H2O)] was crystallized from the reaction of Cu(CH3COO)2·H2O with 2,6-dicarboxy-4-hydroxypyridine (chelidamic acid) in DMF solution and its structure was characterized by X-ray crystallography. The crystal is of triclinic, space group P1^- with a = 7.835(2), b = 8.594(2), c = 10.309(2) A, α = 84.16(3), β= 77.94(3), γ= 69.22(3)°, V = 634.4(2) A^3, Mr = 335.76, Z = 2, Dc = 1.758 g/cm^3, λ, = 0.71073 A,μ(MoKoα) = 1.756 mm^-1 and F(000) = 342. The structure was refined to R = 0.0367 and wR = 0.0805 for 2191 observed reflections with I 〉 2σ(I). The crystal structure shows a distorted square pyramidal geometry around the copper(Ⅱ) ion, which is chelated by one nitrogen atom and two oxygen atoms of the chelidamic acid, one water molecule and one DMF molecule. The title, complex displays 1-D hydrogen-bonded double chains.
基金Project supported by the National Magnetic Confinement Fusion Science Program of China(Grant No.2014GB104002)the National Natural Science Foundation of China(Grant No.11647313)+1 种基金the Youth Science and Technology Foundation of Gansu Province,China(Grant No.1606RJYA263)the Institutes of Higher Education Institutions of Gansu Province,China(Grant No.2015B-022)
文摘The head on collision between two opposite propagating solitary waves is studied in the present paper both numerically and analytically.The interesting result is that no phase shift is observed which is different from that found in other branches of physics.It is found that the maximum amplitude in the process of the head on collision is close to the linear sum of two colliding solitary waves.
基金Project supported by the Key Project of Hunan Provincial Educational Department of China (Grant No 04A058)
文摘By means of the Glauber's coherent state method combined with multiple-scale method, this paper investigates the localized modes in a quantum one-dimensional Klein-Gordon chain and finds that the equation of motion of annihilation operator is reduced to the nonlinear Schroedinger equation. Interestingly, the model can support both bright and dark small amplitude travelling and non-travelling nonlinear localized modes in different parameter spaces.
基金the National Key Basic Research Program of China(Grant No.2022YFA1404800)the National Natural Science Foundation of China(Grant Nos.12234007 and 12221004)supported by Science and Technology Commission of Shanghai Municipality,China(Grant Nos.19XD1434600,2019SHZDZX01,19DZ2253000,20501110500,and 21DZ1101500)。
文摘Periodic photonic structures can provide rich modulation in propagation of light due to well-defined band structures.Especially near band edges,light localization and the effect of near-zero refractive index have attracted wide attention.However,the practically fabricated structures can only have finite size,i.e.,limited numbers of periods,leading to changes of the light propagation modulation compared with infinite structures.Here,we study the size effect on light localization and near-zero refractive-index propagation near band edges in one-dimensional periodic structures.Near edges of the band gap,as the structure's size shrinks,the broadening of the band gap and the weakening of the light localization are discovered.When the size is small,an added layer on the surface will perform large modulation in the group velocity.Near the degenerate point with Dirac-like dispersion,the zero-refractive-index effects like the zero-phase difference and near-unity transmittance retain as the size changes,while absolute group velocity fluctuates when the size shrinks.
基金the grants from 973 Program (2007CB815301 and 2006CB932904)the National Natural Science Foundation of China (20333070 and 20673118)+1 种基金the Science Foundation of CAS (KJCX2-YW-M05)Fujian Province (2006L2005, 2006F3132 and 2007J0171)
文摘Two one-dimensional chain-like cyanide-bridged compounds, [Fe(Phen)2(CN)2Ni(Cyclam)](ClO4)2·DMF-2H2O 1 (Cyclam = 1,4,8,11-tetraaza-cyclotetradecane, Phen = 1,10-phenanthroline, and DMF = N,N-dimethylformamide) and [Fe(Phen)2(CN)2Zn(Cyclam)](PF6)2·CH3CN 2, were prepared by the reaction of [Fe(Phen)2(CN)2]·2H2O with M(Cyclam)^2+ (M = Ni, Zn). In complexes 1 and 2, the metal atoms are connected alternatively with CN groups. X-ray structure and IR analyses for 1 and 2 were performed. Structure analysis revealed that both complexes are centrosymmetric and the geometry around each metal atom is an octahedron. The two complexes crystallize in triclinic with space group of P^1-. For 1, a = 10.439(4), b = 14.976(7), c = 15.914(8)A,α = 83.168(15), β = 74.338(15), γ = 78.023(15)°, V = 2338.3(18)A^3, Z = 2, Mr = 1035.37, Dc = 1.471 g/cm^3, F(000) = 1076,μ = 0.895 mm^-1, the final R = 0.0616 and wR = 0.1414 for 5849 observed reflections (1 〉 2σ(I)). For 2, a = 9.656(6), b = 15.404(9), c = 15.822(10)A, α = 78.68(2), β= 78.917(19), γ = 77.15(2)°, V = 2223(2)A^3, Z = 2, Mr = 1064.87, Dc = 1.587 g/cm^3, F(000) = 1078,μ = 1.032 mm^-1, the final R = 0.0672 and wR = 0.1595 for 6819 observed reflections (I 〉 2σ(I)).
基金Project supported by the National Natural Science Foundation of China(Nos.12162027 and 11962026)the Natural Science Key Project of Science and Technology Research in Higher Education Institutions of Inner Mongolia Autonomous Region(No.NJZZ22574)。
文摘By means of Muskhelishvili’s method and the technique of generalized conformal mapping,the physical plane problems are transformed into regular mathematical problems in quasicrystals(QCs).The analytical solution to an elliptical orifice problem with asymmetric cracks in one-dimensional(1D)orthorhombic QCs is obtained.By using the Dugdale-Barenblatt model,the plastic simulation at the crack tip of the elliptical orifice with asymmetric cracks in 1D orthorhombic QCs is performed.Finally,the size of the atomic cohesive force zone is determined precisely,and the size of the atomic cohesive force zone around the crack tip of an elliptical orifice with a single crack or two symmetric cracks is obtained.