A New One-dimensional Chain Compound Constructed by {Mo_8O_(28)} units via Corner-sharing

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.

Synthesis, structure, and properties of Ba9Co3Se(15) with one-dimensional spin chains

A new compound with one-dimensional spin chains, Ba9Co3Se(15), was synthesized under high pressure and high temperature conditions and systematically characterized via structural, transport and magnetic measurements. Ba9Co3Se(15) crystallizes in a hexagonal structure with the space group P-6c2(No. 188) and lattice constants of a = b = 9.6765 ? and c = 18.9562 ?. The structure consists of trimeric face-sharing octahedral CoSe6 chains, which are arranged in a triangular lattice in the ab-plane and separated by Ba atoms. The distance of the nearest neighbor of CoSe6 chains is very large, given by the lattice constant a = 9.6765 ?. The Weiss temperature Tθ associated with the intra-chain coupling strength is about -346 K. However, no long-range magnetic order but a spin glass transition at ~ 3 K has been observed. Our results indicate that the spin glass behavior in Ba9Co3Se(15) mainly arises from the magnetic frustration due to the geometrically frustrated triangular lattice.

The Physical Property of Susceptibility for One-Dimensional Ferrimagnetic Chain with Alternating Spins 1 and 1/2 in Finite Magnetic Field

We further calculate the dependence of xT on T in high magnetic fields,where X denotes susceptibility and T is temperature,using our previous research work - Green function's decoupling approximate approach,for the one-dimensional ferrimagnetic chain with alternating spins 1 and 1/2.We find a linear correlation in certain range of magnetic field between the temperature of xT maximum and the magnetic field.Moreover,we simply analyze its physical meaning by our approach.

One-dimensional Vanadyl Phosphate Containing the Tancoite-like{Ⅴ^(Ⅳ)O(HPO_4)_2}^(2–)Chain

A vanadyl phosphate containing a new member of tancoite-like single chain, （DAPH2）[VIVO（HPO4）2]·xH20 （x ≈ 0.2, DAP = 1,3-diaminopropane, C3H10N2）, has been synthesized under hydro（solvo）thermal conditions. It crystallizes in orthorhombic space group P21212 （No. 18） with a = 7.1730（14）, b = 19.252（4）, c = 8.6557（17） A, Z= 4, V= 1195.3（4）A3, C3H14.38N2P2VO9.19, Mr = 338.47, Dc = 1.881 g/cm3,μ（MoKa） = 1.138 mm-1 and F（000） = 692. The final full-matrix least-squares refinement converged to R = 0.0408, wR = 0.1046 for 2498 observed reflections with I 〉 2σ（I） and R = 0.0456 and wR = 0.1080 for all data （2750） and S = 1.001. Its one-dimensional 1 structure consists of tancoite-like ∞1 {vIVO（HPO4）2}2- single chains surrounded by DAPH22＋ ions and water molecules. The single chain is built from trans-corner-sharing octahedral {VIV= O…VIV} backbone loop-branched by HPO4 groups like staple forming a new member of tancoite single chain. Due to the special coordination of VIVO6, the ∞1 {VO（HPO4）2-} chain adopts a larger M-O-M angle （V-O-V = 135°） than those of tancoite chains reported before. The corner-sharing linear {VIV = O…VIV} chain structure also leads to a one-dimensional weak antiferromagnetic interaction at low temperature. The magnetic measurements confirm the 4＋ valence state of vanadium. IR and TG results of the title compound are also discussed.

Ground-State Energy and Entropy for One-Dimensional Heisenberg Chain with Alternating D-Term

We study the ground-state information of one-dimensional Heisenberg chain with alternating D-term. Given the ground-state phase diagram, the ground-state energy and the entanglement entropy are obtained by tensor-net work algorithm. The phase transition points are shown in the entanglement entropy figure. The results are agreed with the phase diagram.

Multifunctional properties of a polar spin chain compound[N(C_(3)H_(7))_(4)][Cu(C_(8)H_(4)NO_(4))]·H_(2)O exhibiting both one-dimensional magnetism and nonlinear optical activity

Functional materials with multiple properties are urgent to be explored to reach high requirements for applications nowadays.In this work,a new multifunctional one-dimensional(1D)chain compound[N(C_(3)H_(7))_(4)][Cu(ohpma)]·H_(2)O 1(ohpma=deprotonated N-(2-hydoxyphenyl)oxamic acid)exhibiting both 1D antiferromagnetic and nonlinear optical properties,which are both originated from the same polar[Cu(C_(8)H_(4)NO_(4))]magnetic units,has been successfully synthesized by evaporation at room temperature.Bis-polydentate nature of the(ohpma)3−ligand with constrained tridentate and bidentate coordination sites conducts Cu^(2+)ions coordinating in different geometries and forms 1D chains along the c axis,which are further separated by the[N(C_(3)H_(7))_(4)]+cations.And the 1D magnetic chains further exhibit noncentrosymmetric polar arrangement.Nonlinear optical study shows polar compound 1 exhibits a discernible second-harmonic generation(SHG)efficiency and the calculation of the partial density of states indicates that the SHG efficiency of 1 is mainly originated from the polar[Cu(C_(8)H_(4)NO_(4))]magnetic units.Moreover,magnetic susceptibility shows a broad maximum around 70 K with strong intrachain interaction of J/k B=−113.0 K but no long-range order is observed down to 2 K,suggesting that 1 shows a good 1D magnetism.Both good 1D magnetism and SHG activity suggest that 1 could be as a potential multifunctional material,particularly.

A New One-dimensional Aluminium Fluorophosphate Templated by Organic Amine

A new one-dimensional aluminum fluorophosphate, AlP2O5（OH）3F·0.5[H2dien] （dien=diethylenetriamine）, was solvothermally synthesized by using organic amine as the structure directing agent, and its structure was determined by single-crystal X-ray diffraction. The complex inorganic architecture consists of trans-corner-sharing AlO4F2 octahedra chain decorated by phosphate tetrahedra along both sides of the -F-Al-F-Al-F- backbone displaying a series of Al2P three-membered rings, which will represent a new fundamental structural type in metal phosphates. The results of CHN elemental analysis, EDS, and TGA are also presented. Crystal data： C4H18Al2F2N3O16P4, monoclinic, space group P21/c with a=6.9107（14）, b=15.749（3）, c=8.9741（18） , β=109.829（2）o, V=918.8（3） 3, Z=2, Mr=580.05, Dc=2.097 g/cm3, μ=0.618 mm-1, S=1.022, F（000）=590, the final R=0.0510 and wR=0.1284 for 1607 observed reflections （I 〉 2σ（I））.

Localization and delocalization of a one-dimensional system coupled with the environment

We investigate several models of a one-dimensional chain coupling with surrounding atoms to elucidate disorder- induced delocalization in quantum wires, a peculiar behaviour against common wisdom. We show that the localization length is enhanced by disorder of side sites in the case of strong disorder, but in the case of weak disorder there is a plateau in this dependence. The above behaviour is the conjunct influence of the coupling to the surrounding atoms and the antiresonant effect. We also discuss different effects and their physical origin of different types of disorder in such systems. The numerical results show that coupling with the surrounding atoms can induce either the localization or delocalization effect depending on the values of parameters.

Doping effect on the structure and physical properties of quasi-one-dimensional compounds Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15)(x=0-0.2)

A series of samples of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15)(x=0,0.05,0.1,0.15,0.2)with quasi-one-dimensional(1D)structure were successfully synthesized under high-temperature and high-pressure conditions.The influence of partial substitution of S for Se on the structure,electronic transport,and magnetic properties of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15) has been investigated in detail.The x-ray diffraction data shows that the lattice constant decreases linearly with increasing S-doping level,which follows the Vegrad’s law.The doped S atoms preferentially occupy the site of Se atoms in CoSe6 octahedron.Physical properties measurements indicate that all the samples of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15) are semiconducting and display spin glass behavior.As the replacement of Se by smaller size S,although the inter-chain distance decreases,the electronic hopping between CoSe/S6 chains is weakened and leads to an increase of band gap from 0.75 eV to 0.86 eV,since the S-3p electrons are more localized than Se-4p ones.Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15) exhibits 1D conducting chain characteristic.

Gear-like array of (H_2O)_(12) as building blocks in one-dimensional supramolecular assembly

The preparation and crystal structure of complex Co（Hsae）2·2H2O （1, H2sae = N-salicylidene-2-iminoethanol） are reported. X- ray analysis revealed that every six Co（Hsae）2 forms a cyclic chip and every 12 water forms a novel gear-like cluster. Acting as building blocks, the gear-like water cluster and complex chip are connected in A-B fashion and extend into one-dimensional supramolecular chain. Hydrogen bond is the primary bridging force in the formation of supramolecular framework.

Geometric stability and electronic structure of infinite and finite phosphorus atomic chains

One-dimensional mono- or few-atomic chains were successfully fabricated in a variety of two-dimensional materials, like graphene, BN, and transition metal dichalcogenides, which exhibit striking transport and mechanical properties. How- ever, atomic chains of black phosphorus （BP）, an emerging electronic and optoelectronic material, is yet to be investigated. Here, we comprehensively considered the geometry stability of six categories of infinite BP atomic chains, transitions among them, and their electronic structures. These categories include mono- and dual-atomic linear, armchair, and zigzag chains. Each zigzag chain was found to be the most stable in each category with the same chain width. The mono-atomic zigzag chain was predicted as a Dirac semi-metal. In addition, we proposed prototype structures of suspended and sup- ported finite atomic chains. It was found that the zigzag chain is, again, the most stable form and could be transferred from mono-atomic armchair chains. An orientation dependence was revealed for supported armchair chains that they prefer an angle of roughly 35°-37° perpendicular to the BP edge, corresponding to the [110] direction of the substrate BP sheet. These results may promote successive research on mono- or few-atomic chains of BP and other two-dimensional materials for unveiling their unexplored physical properties.

The effect of cubic potentials on discrete breathers in a mixed Klein-Gordon/Fermi-Pasta-Ulam chain

Nonlinearity has a crucial impact on the symmetry properties of dynamical systems. This paper studies a one-dimensional mixed Klein-Gordon/Fermi Pasta-Ulam diatomic chain using the expanded rotating plane-wave approximation and numerical calculations to determine the effect of cubic potentials on the symmetry properties of discrete breathers in this system. The results will be very useful to researchers in the field of numerical calculations on discrete breathers.

One-dimensional Infinite Chain Organotin Compounds: Synthesis and Structural Characterization of Triphenyltin Thiazole-2-carboxylate and Triphenyltin 3-Pyridinylcarboxylate

Triphenyltin thiazole-2-carboxylate (1) and triphenyltin 3-pyridinylcarboxylate (2) were synthesized by the reaction of sodium thiazole-2-carboxylate or sodium 3-pyridinylcarboxylate with the triphenyltin chloride and their crystal structures were determined by single crystal X-ray diffraction analysis. In the structure of 1, the tin atom is five-coordinated in a distorted trigonal bipyramidal structure. Due to the presence of a close intermolecular Sn...S interaction distance of 0.3666 nm, the structure can be described as a weakly-bridged one-dimensional chain compound. In the structure of 2, the tin atom is five-coordinated with bridging 3-pyridinylcarboxylate ligands N atom and resulting structure is one-dimensional chain compound.

A Three-dimensional Heteronuclear Polymer of [Ag_2Fe(SCN)_5(DMF)]_n Containing Channels and One-dimensional Ag_2S_2-S-Ag_2S_2 Chains with Ag…Ag Interaction

The Ag2S2 rings connect [Fe(NCS)5(DMF)]2- (DMF=N,N-dimethylformamide) octahedrons by bridging thiocyanates leading to a 3-D [Ag2Fe(SCN)5(DMF)]n framework. The Fe(III) atoms are in the octahedral geometry and Ag(I) atoms are in the distorted tetrahedral geometry. One-dimensional Ag2S2-S-Ag2S2 wave-like strand chains along the b-axis and channels constructed from ten-membered Ag2Fe(SCN)2S rings along the c-axis feature the three-dimensional framework. The Ag…Ag distance of 0.3103(1) nm in Ag2S2 rings indicates weak Ag…Ag inter-action. Such an Ag2S2-S-Ag2S2 chain in silver(I) complexes is unprecedented. Crystal data: Mr=635.09, ortho-rhombic, Pnma, a=1.64214(13) nm,b=1.40075(11) nm,c=0.84445(7) nm,V=1.9424(3) nm3,Z=4, m(Mo Ka)=3.278 mm-1, Dcalcd=2.172 g·cm-3, F(000)=1220, R1=0.0443, wR2=0.1138.

Hybridization chain reaction triggered controllable one-dimensional assembly of gold nanoparticles

Assembling and ordering nanomaterials into desirable patterns are considerably significant,since the properties of nanomaterials depend not only on the size and shape,but also on the spatial arrangement among the collective building blocks.In this work,the DNA self-assembly technology of hybridization chain reaction(HCR) provided a convenient method to yield long double-strand DNA(dsDNA) to install gold nanoparticles(AuNPs) into one dimensional assembly along the skeleton of dsDNA.Interestingly,the tunable length of AuNPs assemblies along dsDNA chain could be achieved by adjusting the reaction time of HCR,which is based on the formation of covalent bond between Au and the-SH group of DNA.Compared with weak light scattering of single AuNP,these AuNPs assemblies could be clearly imaged under the dark field microscopy,indicating that the light scattering was greatly improved after assembling.

Quaternary Selenophosphate Cs_(2)ZnP_(2)Se_(6)Featuring Unique One-dimensional Chains and Exhibiting Remarkable Photo-electrochemical Response

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.

Synthesis and Crystal Structure of Two One-dimensional Chain Copper Complexes [Cu(TTA)_2(4,4′-azpy)] and [Cu(TTA)_2(3,3′-azpy)]

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.

Crystal Structure, Thermal Analysis and Theoretical Calculation of a One-dimensional Chain Complex [Zn(dafo)_2(H2O)_2](NO_3)_2

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.

A Double Helix Coordination Polymer Generated from 2-（（Pyridin-4-ylmethyl）thio）-5-（quinoline-2-yl）-1,3,4-oxadiazole and Ag^Ⅰ Salts

The new ligand 2-（（pyridin-4-ylmethyl）thio）-5-（quinoline-2-yl）-1,3,4-oxadiazole（L） and Ag Cl O4 produced a new coordination polymer： [（Ag2L2Cl O4）ClO 4]n（1）. The complex has been characterized by single-crystal X-ray diffraction, IR, TGA, PXRD, UV and elemental analysis. Compound 1 crystallizes in triclinic system, space group P1, with a = 8.4593（5）, b = 14.5903（9）, c = 15.7908（10） A, α = 97.357（5）, β = 99.116（5）, γ = 104.470（5）°, V = 1834.43（20） A3, Dc = 1.91056 g/cm^3, Mr = 1055.38, Z = 2, F（000） = 1048, u = 1.399 mm-1, the final S = 1.002, R = 0.049 and wR = 0.105. The compound consists of a double helix chain. The neighboring chains interact via two kinds of π-π interactions to form a two-dimensional（2D） sheet. Each sheet interacts with the neighboring sheets via π-π interactions to form an extended 3D supramolecular network.