A new nickel(II)-dicyanamide compound, [Ni(dca)2(en)]n (1) (dca=dicyanamide anion, -); en=ethylene diamine), has been synthesized and its structure has been determined by single crystal X-ray diffraction analysis. The...
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A new nickel(II)-dicyanamide compound, [Ni(dca)2(en)]n (1) (dca=dicyanamide anion, -); en=ethylene diamine), has been synthesized and its structure has been determined by single crystal X-ray diffraction analysis. The crystal is monoclinic, space group P21/n with unit cell dimensions: a=0.694 3(1) nm, b=1.041 5(2) nm, c=1.413 2(2) nm, and β=90.381°, Z=4, V=1.011 0(3) nm3. In this compound, the adjacent nickel atoms are connected by dca all inμ1,5-bridging mode to form ladder-like units, which are linked with double dca bridges to generate a regular infinite stair-like structure. Temperature-dependent magnetic susceptibility was also characterized for this compound. CCDC: 208276.
Molecular dynamics (MD) and Monte Carlo (MC) simulation techniques were used to investigate the structural characteristics and transport behavior of PIM-Trip-TB and KAUST-PI-1 membranes. Potential in gas separation pr...
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Molecular dynamics (MD) and Monte Carlo (MC) simulation techniques were used to investigate the structural characteristics and transport behavior of PIM-Trip-TB and KAUST-PI-1 membranes. Potential in gas separation processes, the PIM-Trip-TB and KAUST-PI-1 membranes are composed of shape-persistent bridged Triptycene (Trip) unit. The effect of the Triptycene unit on the membrane structure, mechanical strength and gas transport behavior was analyzed in this study. Compared to PIM-PI-1 which consists of a less rigid spirobisindane (SBI) unit, the PIM-Trip-TB and KAUST-PI-1 revealed larger surface area, higher fraction free volume, higher value of Young’s modulus, and narrower distribution of dihedral angles. Furthermore, the membrane transport properties were evaluated by investigating the adsorption isotherm and self-diffusion behaviors of various gases within the membranes. The simulation results agreed well with the experimental data, demonstrating combined MD and MC techniques are a reliable tool for the characterization of membranes.
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