SYNTHESIS AND CHARACTERIZATION OF AMPHIPHILIC GRAFT COPOLYMER CONTAINING MICROPHASE SEPARATED AND LONG POLY(ETHYLENE OXIDE) SIDE CHAIN STRUCTURES

Acryloyl terminated Poly (ethyleneoxide)macromonomers (PEO-A) with different PEO chain lengths have been prepared by deactivation of PEO alkoxide with acryloyl chloride. A new kind of amphiphilic polystyrene-g-poly (ethylene oxide)graft copolymer containing both microphase separated and PEO side chain structures has been synthesized from radical copolymerization of PEO-A macromonomer with styrene. After careful purification by a newly-developed method called 'selective dissolution', the well-defined structure of the purified copolymers was confirmed by IR, ~1H-NMR and GPC. Various experimental parameters controlling the copolymerization were studied in detail. The results indicated that the feed ratio of styrene to macromonomer(S/M) was the most important determining factor for the composition of the copolymers. A detailed 'comb- model' was proposed to describe the molecular structure of the graft copolymers. Finally, this amphiphilic graft copolymers may readily form microphase separated structures as clearly indicated by transmission electron microscopy.

Molecular Modeling of the Chain Structures of Polybenzoxazines

The structures and properties of benzoxazines were investigated by virtue of molecular modeling at a molecular level. By means of Cerius software(version 4.0) supplied by Molecular Simulations Inc., the molecular mechanics and the molecular dynamics were performed under a PCFF force field. Five kinds of the polymeric chains of benzoxazines were created by using polymer builder and energy minimization. The relaxation process was conducted with both energy minimization and molecular dynamics.

The Chain Structure of Ultrahigh Molecular Weight Polyacrylonitrile

The chemical composition, molecular weight and its distribution, the bonding structure and the regulation of ultrahigh molecular weight polyacrylonitrile （UHMW-PAN） prepared by aqueous suspension polymerization were determined by FIIR, viscometry, GPC, ^3H-NMR and ^13CNMR. The mechanical properties of the porous hollow fiber prepared by UHMW-PAN were discussed to provide a theoretical basis for the preparation of ideal precursors of the porous hollow oxidation fiber.

Quantum Correlations in Ising-XYZ Diamond Chain Structure under an External Magnetic Field

We consider an entangled Ising-XY Z diamond chain structure. Quantum correlations for this model are inves- tigated by using quantum discord and trace distance discord. Quantum correlations are obtained for different values of the anisotropy parameter, magnetic field and temperature. By comparison between quantum correlations, we show that the trace distance discord is always larger than quantum discord. Finally, some novel effects such as increasing the quantum correlations with temperature and constructive role of anisotropy parameter, which may play to the quantum correlations, are observed.

Exploring the Interplay between Local Chain Structure and Stress Distribution in Polymer Networks

The mechanical behavior of polymer networks is intrinsically correlated with the local chain topology and chain connectivity.In this study,we delve into this relationship through the lens of coarse-grained molecular dynamics(CG-MD)simulations.Our aim is to illuminate the intricate interplay between local topology and stress distribution within polymer monomers,cross-linkers,and various components with distinct cross-link connections,thereby elucidating their collective impact on the mechanical properties of polymer networks.We mainly focus on how specific local structures contribute to the overall mechanical response of the network.In particular,we employ local stress analysis to unravel the mechanics of these structures.Our findings reveal the diverse responses of individual components,such as junctions,strands,cross-linkers between junctions,and dangling chain ends,when subjected to stretching.Notably,we observe that these components exhibit varying degrees of deformation tolerance,underscoring the significance of their roles in determining the mechanical characteristics of the network.Our investigations highlight junctions as primary contributors to stress accumulation,and particles with higher local stress showing a stronger correlation between stress and Voronoi volume.Moreover,our results indicate that both strands and cross-linkers between junctions exhibit heightened stress levels as strand lengths decrease.This study enhances our understanding of the multifaceted factors governing the mechanical attributes of cross-linked polymer systems at the microstructural level.

Rational design of systematic AIEEgens further modified by substituents from a novel chain structure

The expansion of new structures in aggregation-induced emission/aggregation-induced emission enhancement(AIE/AIEE)systems has attracted persistent attention recently,from which more luminescent functional molecules with characteristic skeletons are derived to satisfy specialized applications.In this study,a series of derivatives cored by tetraphenyl enamine with various terminal groups were designed and synthesized based on a novel p-πconjugate chain structure(–C=C–N–).Experimental and theoretical studies reveal that attaching modified groups to enamine core is decisive to achieve successful conversion from non-luminance to AIEE-activity.Moreover,due to different substituent effect on electronic structure,molecular conformation and molecular packing,diverse enamine compounds exhibited prominent substituent tunable emission properties,realizing regulated AIEE effect and multicolor emitting.These results not only offer a new method to design AIEgens/AIEEgens with p-πconjugate chain structures,but also provide in-depth knowledge for functional modifications of more novel AIE/AIEE units and materials.

Novel Poly m eric Transition Metal Co m plexes Having1D Chain and 3D Networks Structures

The syntheses and structures of eleven novel polymeric transition metal complexes having one dimensional chain structures or three dimensional networks are summarized. They are prepared from the controlled assembling reactions in organic solvents and characterized by X ray diffraction analyses. The spectroscopic or magnetic properties of some complexes are studied.

Comparison of Chain Structures between High-speed Extrusion Coating Polyethylene Resins by Preparative Temperature Rising Elution Fractionation and Cross-fractionation

Two polyethylene（PE） resins（samples A and B） are synthesized as high-speed extrusion coatings with similar minimum coating thickness and neck-in performance but different maximum coating speeds. Both samples are separated into seven fractions using preparative temperature rising elution fractionation. The microstructures of the original samples and their fractions are studied by high-temperature gel permeation chromatography, Fourier transform infrared spectroscopy, 13 C nuclear magnetic resonance spectroscopy, differential scanning calorimetry, and successive self-nucleation/annealing thermal fractionation. Compared with sample B, sample A has a broader MWD, more LCB contents, and less SCB contents. Moreover, sample A contains slightly more 30 ℃ and 50 ℃ fractions with lower molecular weights, and more fractions at 75 ℃ and 85 ℃ with higher molecular weight. The chain structure and its distribution in the two PE resins are studied in detail, and the relationship between the chain structure and resin properties is also discussed.

A NEW TYPE OF CHAIN COMPOUND,STRUCTURE OF TA_4(TE_2)_4TE_4I

Ta_4(Te_2)_4Te_4I,Mr=2381.90,Monoclinic,C2/c,a=21.987(2),b=6.153(2),c= 19.936(3),β=122.42(14),V=2276.7 ~3,z=4,Dm=6.8(5)g/cm^3,Dc=6.95g/cm^3,λ(Mok)= 0.71073,μ=354.0cm^(-1),F(000)=3876,T=296(1)k,R=5.3%,Rw=6.8%,for 1118 unique observed reflections(1>3σ(Ⅰ)).The structure is composed of [Ta_4(Te_2)_4Te_4I]_∞~ chains,which are formed by the four-nuclear butterfly cluster units "Ta_4(Te_2)_4Te_4" with the Ⅰ atoms as the bridging atoms between different cluster units.

CRYSTAL STRUCTURE OF LONG CHAIN COMPLEX OF [Cu(TTA)(4,4'-BIPYRIDINE)]_n

The crystal structure of[Cu(2-thienoyl-trifluoroacetone)(4,4—bipyridine)]_n was determined by X-ray diffraction analysis. The crystal belongs to monoclinie with the space group C2/c, Mr=440.91, a=9.640(5) A, b=24.97(1) A, c=16.032(7) A, β=106.76(3)°,V=3695(3) A^3, Z=8, Dc=1.58g/cm^3, F(000)=1776. Final R and Rw are 0.062 and 0.069, respectively. The local coordination geometry around Cu(I) ion is a distorted tetrahedron. Cu(TTA) are linked with 4,4-bipyridine, forming long chain in the crystal.

Size Effect on the Raman Spectra and Electronic Structure of the Glycine-alanine Oligopeptide Chains

A theoretical study on oligopeptide chains of glycine-alanine by density functional theory（DFT） is given in this paper. Raman spectra of the oligopeptide chains are examined. The geometric structures, frontier orbital, energy gap, atomic charge distribution, density of states and chemical activity of the side chain are studied at the B3LYP/6-31G（d） level. Results show that, with the number of residues increasing, vibrations of typical functional groups present Raman frequency shift, and the energy gap is gradually reduced. The HOMO and LUMO focus on the amino and carboxyl at the ends of oligopeptides. It is helpful for oligopeptides to self-assemble into chains. In addition, different residues（glycine or alanine） at the ends of chains result in the even-odd effect of orbital energy in the growth process. The size effects of physical and chemical properties only exist when the oligopeptides are shorter, and the phenomenon disappeared as the chain continues to grow.

Synthesis and Crystal Structure of a Novel Layered Lead(Ⅱ) Carboxylate-sulfonate Compound Templated by 4,4'-Bipyridine

A new lead（Ⅱ） carboxylate-sulfonate has been hydrothermally synthesized and characterized by X-ray single-crystal and elemental analyses. It crystallizes in triclinic, space group Pi, with a = 8.1573（6）, b = 9.4663（7）, c = 12.7488（9）A, a = 89.2320（10）, β = 80.7380（10）, γ = 77.9760（10）°, Z = 2, V= 950.10（12） A^3, Mr= 599.57, Dc= 2.096 g/cm^3,μ = 9.032 mm^-1, F（000） = 572, the final R = 0.0412 and wR = 0.1035. It has a ID chain structure, and the Pb（Ⅱ） is six-coordinated. Two PbO6 polyhedra are interconnected via edge-sharing into a two-core unit. Such units are further interconnected by 3-sulfonato-benzoic acids into I D chains which are linked by hydrogen bonds into a layer structure. The 4,4＇-bipyridines are located at the interlayer space and link the layers into a supramolecular structure by π-π stacking interactions.

A New Organo-Directed Titanium Phosphate Phase Containing Zigzag Chains of Corner-Sharing TiO_6 Octahedra

A new organo-directed titanium phosphate, [NH3CH2CH2NH3]·[TiO(HPO4)2], was synthesized by the solvothermal method and its structure was determined by single crystal X-ray diffraction. The structure consists of 1-D zigzag chains built up from trans-corner-sharing titanium oxo octahedra running along the b axis, with fused Ti2P three-membered rings being attached to the ( Ti ( O ( Ti ( O ( backbone.

Synthesis and Structure of a Zinc(II) Complex:[Zn(Pybta)·Cl_2]_n

The title compound, [Zn（Pybta）Cl2]n （Pybta = 1-（2-pyridylmethyl）benzontriazole）, has a zigzag chain structure. It crystallizes in the monoclinic system, space group P21/c with a = 9.0103（11）, b = 17.0276（18）, c = 9.2288（11）A,β = 101.309（6）°, Mr= 346.51, V= 1388.4（3）A^3, Z= 4, De= 1.658 g/cm^3, F（000） = 696,/a = 2.143 mm^-1, the final R = 0.0492 and wR = 0.1236 for 2545 observed reflections with I 〉 2σ（I）. The Zn atom is four-coordinated by two N and two Cl atoms, forming a slightly distorted tetrahedral geometry. Each zigzag chain links its adjacent symmetryrelated equivalents via multiple π-π interactions, which are not frequently observed in the previously reported architectures.

Concentrated Fluoride-medium Route to Synthesis of One-dimensional Fluoroaluminophosphate Chain (C_4H_(15)N_3)[AlPO_4F_2]

A new one-dimensional（ID） fluoroaluminophosphate chain（C4H15N3）[AlPO4F2]（denoted AIPO-CJ28） was synthesized in the concentrated fluoride synthetic medium with a gel composition of 1.0Al（OPr^1）a：1.0H3PO4： 5.4DETA：1.3HF：2.0H2O（DETA=diethylenetriamine）. The reagents were mixed directly without introducing additional water solvent. The 1D chain is constructed by alternating AlO2F2 arid doubly bridging PO4 tetrahedra to form the simplest serrate chain. AIPO-CJ28 can be transformed to another 1D aluminophosphate chain A1PO-CSC upon further crystallization at 230 ℃.

STUDIES ON THE CHAIN STRUCTURAL EFFECT OF PVDF AND VDF (52)/TrFE(48) COPOLYMER BY MEANS OF THE METHOD OF DIELECTRIC RELAXATION

Through improvements on a fully commercial and automatic system measuring frequency andtemperature spectra of the complex elastic, dielectric, and piezoelectric constants of polymerfilms, the precision for measuring complex dielectric constants achieved 2‰ from original 1%.The complex dielectric constants of PVDF, VDF （95 ）/VF （5）, VDF （52）/TrFE （48） and VDF（47. 5）/TrFE（47. 5）/HeFP （5） over a range of-120-140℃, 10-2-10;Hz were measured bythe described system. The diminution of chain regularity due to 5mol% vinyl fluoride in the chainof PVDF led to disappearing of α-relaxation and increase in T;（3℃） of VDF （95）/VF （5）.Because of the spatial impediment of 5mol% HeFP in copolymer chain, the Curie point of VDF（52）/TrFE（48） decreased by 30℃ and T;by 3℃. The behavior of dielectric relaxation indicatedthat 5mol% vinyl fluoride and HeFP made the relaxation strength of noncrystalline regionreduced, the activation energy of local relaxation increased and the relaxation time prolonged respectively.

A Breakthrough of Primary Structure in Indeterminate Analysi--Irregular Force Method and Irregular Displacement Method

As the strict limitation of primary structure in traditional force method and displacement method in indeterminate analysis may lead to complicated high-order linear equations, a breakthrough of the limitation, i.e., the application of irregular force method and irregular displacement method, would be introduced in this paper to ease the difficulty of hand computations. By using hyperstatic primary structures and partly chained primary structures, the primary structures of force method and displacement method are reformed, and the order of the system is decreased. The technique is explained through examples. The significance of the new method is summarized.

Synthesis,crystal structure,and magnetic properties of a new onedimensional chain antiferromagnet Co(ox)(bib)·H_(2)O(ox=oxalate;bib=1,4-bis(imidazole-1-yl)benzene)

A new one-dimensional(1D)chain antiferromagnet Co(ox)(bib)·H_(2)O 1(ox=oxalate;bib=1,4-bis(imidazole-1-yl)benzene)has been successfully synthesized under hydrothermal condition and characterized by single crystal X-ray crystallography,powder X-ray diffraction,thermogravimetric analysis,Fourier transform infrared(FTIR)spectroscopy,magnetic susceptibility,and heat capacity measurements.The CoII ion is connected by oxalate ions in trans-configuration to form 1D CoII–ox–CoII spin chains,which are further separated by the long organic molecule bib.The magnetic susceptibility curve shows that 1 exhibits a feature of broad maximum around 29 K,indicating strong antiferromagnetic interactions with short spin–spin correlations along the spin chains.However,no long-range order is observed due to the negligible interchain interactions through bib ligand and weak hydrogen bonds,which is further confirmed by the heat capacity data.The intrachain interaction J of−8.4 K is estimated.Both magnetic susceptibility and heat capacity results indicate that 1 exhibits a good 1D magnetism.

Two New Chlorovanadates:Ba_8Cs_5V_8O_(24)Cl_(13)with[V_8O_(24)]Ring and MgCsV_2O_6Cl with[VO_3]_∞Chain

Two new crystals of chlorovanadates,Ba_8Cs_5V_8O_（24）Cl_（13）（1） and MgCsV_2O_6Cl（2）,were grown in the molten salt media. 1 crystallizes in tetragonal,space group P4/mmm（No. 123）,with a = 14.801（2）,c = 12.341（3） ？,V = 2703.5（8） ？~3,Z = 2,Mr = 3015.56,F（000） = 2640,μ = 11.044 mm-1,Dc = 3.704 g/cm3,the final R = 0.0380 and wR = 0.0937 for 1654 observed reflections with I 〉 2σ（I）. 2 crystallizes in a monoclinic space group C2/c（No. 15） with a = 11.128（2）,b = 10.540（2）,c = 6.9892（14） ？,β = 118.38（3）°,V = 721.2（2） ？~3,Z = 4,M_r = 390.55,F（000） = 712,μ = 7.997 mm-1,D_c = 3.597 g/cm^3,the final R = 0.0537 and w R = 0.1363 for 740 observed reflections with I 〉 2σ（I）. 1 exhibits a novel 8-membered-ring [V_8O_（24）] consisting of 8 corner-shared VO_4 tetrahetra,but in 2,an infinite ladder-like [VO_3]_∞ chain is formed by VO_5 square pyramids through sharing the edges.

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.