Solvent Dependent Assembly,Structural Diversity and Topology Analysis in Two Novel Ni Coordination Polymers

Solvent dependent assembly obtained two novel Ni coordination polymers with H_2 tbtpa and flexible 1,2-bix ligand（H_2tbtpa = tetrabromoterephthalic acid and 1,2-bix = 1,2-bis（imidazol-1-ylmethyl）benzene）,formulated as [Ni_（0.5）（tbtpa）_（0.5）（1,2-bix）·（H_2O）]_n（1） and [Ni（tbtpa）（1,2-bix）（H_2O）_2]_n（2）.They have been structurally characterized by single-crystal and powder X-ray diffraction,elemental analysis,FT-IR spectra and TGA.Compound 1 crystalizes in triclinic,space group P1 with a = 9.0276（4）,b = 10.0012（6）,c = 11.4955（5） A,α = 69.121（5）,β = 76.398（4）,γ = 89.668（4）o,C_（36）H_（32）Br_4 Ni N_8O_6,Mr = 1051.04,V = 939.05（8） A^3,Z = 1,Dc = 1.859 g·cm^-3,μ = 6.222 mm^-1,F（000） = 520,8.502≤2θ≤134.16°,λ（Cu Kα） = 1.54184 A,T = 294（6） K,the final R = 0.0750,w R = 0.1988 and S = 1.033.Compound 2 crystalizes in triclinic,space group P1 with a = 11.1257（7）,b = 11.5062（6）,c = 12.3529（4） A,α = 88.861（3）,β = 84.572（4）,γ = 64.235（6）o,C_（22）H_（18）Br_4 Ni N_4O_6,Mr = 812.75,V = 1417.36（1） A^3,Z = 2,Dc = 1.904 g·cm^-3,μ = 7.968 mm^-1,F（000） = 788,7.2≤2θ≤134.1°,λ（Cu Kα） = 1.54184 A,T = 294（6） K,the final R = 0.0414,w R = 0.0865 and S = 1.025.1 shows a two-dimensional（4,4）-sql topology and 2 manifests a three-dimensional 6~58 Cd SO_4 topology coordination polymer network.

Helix-like structure formation of a semi-flexible chain confined in a cylinder channel

Molecular dynamics method is used to study the conformation behavior of a semi-flexible polymer chain confined in a cylinder channel.A novel helix-like structure is found to form during the simulation.Moreover,the detailed characteristic parameters and formation probability of these helix-like structures under moderate conditions are investigated.We find that the structure is not a perfect helix,but a bundle of elliptical turns.In addition,we conduct a statistical analysis for the chain monomer distribution along the radial direction.This research contributes to our understanding of the microscopic conformation of polymer chains in confined environments filled with a solvent.

A 3-D Selected Solvent Large Aperture MOF

The metal-organic framework（MOF）{[Cu（L1）_（0.5）（CN）]·4H_2O·3DMSO}_n（1） was assembled by 1,4-bis（3？,5？-dicyano-2？,6？-di（pyrid-4-yl）-1？,4？-dihydropyridyl）benzene（L1） together with copper cyanide at room temperature. In 1,the Cu~＋ ions are linked by CN-anions into a 1D helical chain,which is further fused together by tetradentate L1 ligands to build an extended 3D porous framework with two different types of functionalized channels. 1 crystallizes in the monoclinic,space group P21/c with a = 17.8729（6）,b = 8.7298（3）,c = 22.7524（9） ？,β = 96.072（4）o,V = 3530.1（2） ？~3,μ = 0.845 mm-1,Dc = 1.352 Mg/m^3,Z = 4,Mr = 718.35,F（000） = 1500,S = 1.081,the final R = 0.0877 and wR = 0.2275 for 6975 observed reflections with I 〉 2σ（I）.

Microwave-assisted solvothermal synthesis of ZSM-22 zeolite with controllable crystal lengths

ZSM-22 （TON） zeolite crystal morphology was successfully controlled using a microwave-assisted solvothermal fabrication method. Different co-solvents, including ethanol, 2-propanol, glycerol, and ethylene glycol, were also applied in the synthesis mixture. The effects of various parameters such as the aging time, the type and amount of co-solvent on the ZSM-22 crystal aspect ratio were investigated. When employing this microwave irradiation synthesis, a long aging time was crucial to obtain smaller and more uniform crystal sizes. The addition of co-solvent resulted in elongated ZSM-22 crystals, regard- less of the actual co-solvent used, although ZSM-22 zeolite crystallinity was sensitive to the co-solvent type. In general, the use of a co-solvent stimulated the appearance of ZSM-5 zeolite as an impurity and the amount of this impurity was proportional to the concentration of co-solvent in the synthesis mixture.