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.

Some Topological Values of Supramolecular Chain of Different Complexes of N-Salicylidene-L-Valine

L-valine is a glycogen-type amino acid regarded among the necessary mammalian amino acids.This is an amino acid that is essential for protein synthesis.N-salicylidene-L-valine is gaining a lot of attention because of its unique structure and increased catalytic and cytotoxic activity.We explore the chain of supramolecular dialkyltin N-salicylidene-L-valine complexes 2,3,and 4 to learn more about this structure and its features regarding topological indices.We computed the first and second Randi′c index,harmonic index,sum-connectivity index,atom-bond-connectivity index,geometric arithmetic index and reduced reciprocal Randi′c index of Supramolecular Chain of Different Complexes of N-Salicylidene-L-Valine.Furthermore,we present an analysis of such structures using specific examples,as well as a comparison of topological indices.

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.

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.

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.

One-dimensional Chain Crown Ether Complexes Synthesis and Crystal Structure of ([K(DB18-crown-6)]_(2)(CH_(3)CN))[Pt(SCN)_(4)]

The complexe{[K(DB18-crown-6)]_(2)(CH_(3)CN)}[Pt(SCN)_(4)]was synthesized and characterized by elemental analysis,IR spectrum and X-ray diffraction analysis.The complexe belongs to monoclinic,space group c2/c with cell dimensions,a=2.5904(8),6=1.3653(4),c-1.84706(6)nm,β=123.811(4)°,V=5-339(3)nm^(3),Z=4,.Dcalcd=l.577 g/cm^(3),F(000)=2552,R_(1)=0.051 l,wR_(2)=0.1411.The complexe shows one-dimensional chain of{[K(DB18-crown-6)]+complex cation and[Pt(SCN),i]2-complex anion bridged by N atom of CHaCN moleculer between two[K(DB18-crown-6)]_(2)[Pt(SCN)_(4)]groups respectively.

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.

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.

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.

Hydrogen-Bonding Crosslinked Supramolecular Polymer Materials:From Design Evolution of Side-Chain Hydrogen-Bonding to Applications

Hydrogen bonds(H-bonds)are the most essential non-covalent interactions in nature,playing a crucial role in stabilizing the secondary structures of proteins.Taking inspiration from nature,researchers have developed several multiple H-bonds crosslinked supramolecular polymer materials through the incorporation of H-bond side-chain units into the polymer chains.N-acryloyl glycinamide(NAGA)is a monomer with dual amides in the side group,which facilitates the formation of multiple dense intermolecular H-bonds within poly(N-acryloyl glycinamide)(PNAGA),thereby exhibiting diverse properties dependent on concentration and meeting various requirements across different applications.Moreover,numerous attempts have been undertaken to synthesize diverse NAGA-derived units through meticulous chemical structure regulation and fabricate corresponding H-bonding crosslinked supramolecular polymer materials.Despite this,the systematic clarification of the impact of chemical structures of side moieties on intermolecular associations and material performances remains lacking.The present review will focus on the design principle for synthesizing NAGA-derived H-bond side-chain units and provide an overview of the recent advancements in multiple H-bonds crosslinked PNAGA-derived supramolecular polymer materials,which can be categorized into three groups based on the chemical structure of H-bonds units:(1)monomers with solely cooperative H-bonds;(2)monomers with synergistic H-bonds and other physical interactions;and(3)diol chain extenders with cooperative H-bonds.The significance of subtle structural variations in these NAGA-derived units,enabling the fabrication of hydrogen-bonded supramolecular polymer materials with significantly diverse performances,will be emphasized.Moreover,the extensive applications of multiple H-bonds crosslinked supramolecular polymer materials will be elucidated.

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.

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.

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.

Tuning host-guest binding model by different intramolecular alkyl chain lengths in tripodal hosts:An evidence on structure control supramolecular interactions

Supramolecular chemistry has received considerable attention in host-guest recognition.The structureresponse relationship of host-guest recognition system is a meaningful issue.Herein,a series of tripodal nitrogen mustard derivatives(TMs)have been developed in this paper.By rationally design the intramolecular alkyl chain lengths of host,the host-guest binding model have been successfully tuned,which underwent a transformation fromπ-πto multiple hydrogen bonds.This process enhances the host-guest binding force and recognition efficiency.

Chiral selection of Troger's base-based macrocycles with different ethylene glycol chains length in crystallization

In the present work,two Troger's base-based macrocycles(TBBMs)with different bridging ethylene glycol chains(T1,n=1;T3,n=3)were successfully synthesized and studied via the crystal analysis.These two TBBMs possess rare rectangular-like cavities and show chiral selection during the crystallization.T1with short glycol chain(n=1)crystallized as racemates,while T3 with long glycol chain(n=3)was found as meso isomer.In contrast to T1 and T3,for T2(n=2)both rac-T2 and meso isomer R2NS2N-T2has been observed in our previous report.Thus,the synthesis of new TBBMs T1 and T3 with different bridging ethylene glycol chains not only makes the study of TBBMs more systematically,but also helps to understand the relationship between the size of the rectangular cavity and the chiral selection of Troger's base-based macrocycles during their crystallization.