In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) o...In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) or N-methyl- 2-pyrrolidone(NMP) on solvothermal synthesis of [Zn4O(BDC)3]8 were investigated through a combined DFT and experimental study. XRD and SEM showed that the absorbability of NMP in the pore of [Zn4O(BDC)3]8 was weaker than that of DMF. The thermal decomposition temperature of [Zn4O(BDC)3]8 synthesized in DMF was higher than that in NMP according to TG and FT-IR. In addition, the nitrogen sorption isotherms indicated that NMP improved gas sorption property of [Zn4O(BDC)3]8. The COSMO optimized calculations indicated that the total energy of Zn4O(BDC)3 in NMP was higher than that in DMF, and compared with non-solvent system, the charge of zinc atoms decreased and the charge value was the smallest in NMP. Furthermore, the interaction of DMF, NMP or DEF in [Zn4O(BDC)3]8 crystal model was calculated by DFT method. The results suggested that NMP should be easier to be removed from pore of materials than DMF from the point of view of energy state. It can be concluded that NMP was a favorable solvent to synthesize [Zn4O(BDC)3]8 and the microscopic mechanism was that the binding force between Zn4O(BDC)3 and NMP molecule was weaker than DMF.展开更多
A new inorganic-organic hybrid framework microporous material Cd 3(BDC) 0.5(BTC) 2·(DMF)(H 2O)·3DMF·H 3O·H 2O, in which two kinds of carboxylate ligands coordinate with cadmium ions synchronously, ...A new inorganic-organic hybrid framework microporous material Cd 3(BDC) 0.5(BTC) 2·(DMF)(H 2O)·3DMF·H 3O·H 2O, in which two kinds of carboxylate ligands coordinate with cadmium ions synchronously, was obtained under a mild synthesis condition. The titled compound is crystallized in a monoclinic system, space group P2(1)/c with a=1.584 7(7) nm, b=1.426 7(6) nm, c=1.936 3(6) nm, β=113.186(7)°, V=4.024 6(3) nm 3, Z=4, D X=1.947 mg/m 3, M r=1 179.92, μ=1.662 mm -1, F(000)=2 344, R=0.074 8, wR=0.215 1. Three cadmium centers link with each other through BDC or BTC ligand to form a 3-D open framework.展开更多
A 3-D inorganic-organic hybrid framework microporous material [Co 3(BDC) 3(EG) 4]·2DMF was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The...A 3-D inorganic-organic hybrid framework microporous material [Co 3(BDC) 3(EG) 4]·2DMF was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by a direct method and refined by full-matrix least-square method. The crystal is the triclinic system and belongs to space group P-1 with a=9.978(2) nm, b=11.223(2) nm, c=11.283(2) nm, α=102.26(3)°, β=113.52(3)°, γ=92.73(3)°, V=6.329(2) nm 3, Z=1, D c=1.565 Mg/m 3, M r=1 063.59, μ=1.183 mm -1, F(000)=541, GOF=1.024, R=0.044 2, wR=0.124 9.展开更多
Lanthanum is one of the rare earth metals which due to specific chemio-physical properties,has wide applications in different industries.In this research,the ability of the synthesized metal-organic framework(MOF),[Zn...Lanthanum is one of the rare earth metals which due to specific chemio-physical properties,has wide applications in different industries.In this research,the ability of the synthesized metal-organic framework(MOF),[Zn(bim)_(2)(bdc)]_(n)(ZBB) for the removal of lanthanum ions from the aqueous stream was investigated in the batch and column processes.The synthesized MOF was characterized by using scanning electron microscopy(SEM),Brunauer-Emmett-Teller(BET),Fourier transform infrared spectroscopy(FTIR) and thermogravimetric analysis(TGA).The effect of pH on lanthanum ions adsorption was evaluated in the range from 1 to 7.Moreover,isothermal,kinetic,and thermodynamic parameters for adsorption of La(Ⅲ) ions onto the synthesized MOF were evaluated.The adsorption capacity of lanthanum ions onto the synthesized MOF was calculated to be about 130 mg/g.Thermodynamic studies demonstrate the endothermic and chemical nature of lanthanum adsorption,while kinetic studies suggest the pseudo-first-order of reaction.In column mode,the effect of solution flow rate passing through the fixed-bed was studied.Experimental data confirm that increasing the bed flow rate causes a decrease in the adsorption capacity of lanthanum ions on the synthesized MOF.展开更多
Based on a two-dimensional(2D)Co-MOF(Co_(2)(OH)_(2)BDC)with a self-contained organic interface and low conductivity,a composite epoxy coating(2D Co_(2)(OH)_(2)BDC-PAN/EP)was constructed by a two-step preparation.First...Based on a two-dimensional(2D)Co-MOF(Co_(2)(OH)_(2)BDC)with a self-contained organic interface and low conductivity,a composite epoxy coating(2D Co_(2)(OH)_(2)BDC-PAN/EP)was constructed by a two-step preparation.First,a polyacrylonitrile(PAN)nanofiber membrane was electrospuned on the surface of Q235 steel,followed by coating using the epoxy coating(EP)containing 2D Co_(2)(OH)_(2)BDC.The 2D Co_(2)(OH)_(2)BDC-PAN/EP composite epoxy coatings showed robust mechanical performance and excellent corrosion resistance capacity.展开更多
基金Project(51104185)supported by the National Natural Science Foundation of ChinaProject(2010QZZD003)supported by the Key Project of Central South University of Fundamental Research Funds for the Central Universities of China
文摘In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) or N-methyl- 2-pyrrolidone(NMP) on solvothermal synthesis of [Zn4O(BDC)3]8 were investigated through a combined DFT and experimental study. XRD and SEM showed that the absorbability of NMP in the pore of [Zn4O(BDC)3]8 was weaker than that of DMF. The thermal decomposition temperature of [Zn4O(BDC)3]8 synthesized in DMF was higher than that in NMP according to TG and FT-IR. In addition, the nitrogen sorption isotherms indicated that NMP improved gas sorption property of [Zn4O(BDC)3]8. The COSMO optimized calculations indicated that the total energy of Zn4O(BDC)3 in NMP was higher than that in DMF, and compared with non-solvent system, the charge of zinc atoms decreased and the charge value was the smallest in NMP. Furthermore, the interaction of DMF, NMP or DEF in [Zn4O(BDC)3]8 crystal model was calculated by DFT method. The results suggested that NMP should be easier to be removed from pore of materials than DMF from the point of view of energy state. It can be concluded that NMP was a favorable solvent to synthesize [Zn4O(BDC)3]8 and the microscopic mechanism was that the binding force between Zn4O(BDC)3 and NMP molecule was weaker than DMF.
文摘A new inorganic-organic hybrid framework microporous material Cd 3(BDC) 0.5(BTC) 2·(DMF)(H 2O)·3DMF·H 3O·H 2O, in which two kinds of carboxylate ligands coordinate with cadmium ions synchronously, was obtained under a mild synthesis condition. The titled compound is crystallized in a monoclinic system, space group P2(1)/c with a=1.584 7(7) nm, b=1.426 7(6) nm, c=1.936 3(6) nm, β=113.186(7)°, V=4.024 6(3) nm 3, Z=4, D X=1.947 mg/m 3, M r=1 179.92, μ=1.662 mm -1, F(000)=2 344, R=0.074 8, wR=0.215 1. Three cadmium centers link with each other through BDC or BTC ligand to form a 3-D open framework.
文摘A 3-D inorganic-organic hybrid framework microporous material [Co 3(BDC) 3(EG) 4]·2DMF was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by a direct method and refined by full-matrix least-square method. The crystal is the triclinic system and belongs to space group P-1 with a=9.978(2) nm, b=11.223(2) nm, c=11.283(2) nm, α=102.26(3)°, β=113.52(3)°, γ=92.73(3)°, V=6.329(2) nm 3, Z=1, D c=1.565 Mg/m 3, M r=1 063.59, μ=1.183 mm -1, F(000)=541, GOF=1.024, R=0.044 2, wR=0.124 9.
文摘Lanthanum is one of the rare earth metals which due to specific chemio-physical properties,has wide applications in different industries.In this research,the ability of the synthesized metal-organic framework(MOF),[Zn(bim)_(2)(bdc)]_(n)(ZBB) for the removal of lanthanum ions from the aqueous stream was investigated in the batch and column processes.The synthesized MOF was characterized by using scanning electron microscopy(SEM),Brunauer-Emmett-Teller(BET),Fourier transform infrared spectroscopy(FTIR) and thermogravimetric analysis(TGA).The effect of pH on lanthanum ions adsorption was evaluated in the range from 1 to 7.Moreover,isothermal,kinetic,and thermodynamic parameters for adsorption of La(Ⅲ) ions onto the synthesized MOF were evaluated.The adsorption capacity of lanthanum ions onto the synthesized MOF was calculated to be about 130 mg/g.Thermodynamic studies demonstrate the endothermic and chemical nature of lanthanum adsorption,while kinetic studies suggest the pseudo-first-order of reaction.In column mode,the effect of solution flow rate passing through the fixed-bed was studied.Experimental data confirm that increasing the bed flow rate causes a decrease in the adsorption capacity of lanthanum ions on the synthesized MOF.
文摘Based on a two-dimensional(2D)Co-MOF(Co_(2)(OH)_(2)BDC)with a self-contained organic interface and low conductivity,a composite epoxy coating(2D Co_(2)(OH)_(2)BDC-PAN/EP)was constructed by a two-step preparation.First,a polyacrylonitrile(PAN)nanofiber membrane was electrospuned on the surface of Q235 steel,followed by coating using the epoxy coating(EP)containing 2D Co_(2)(OH)_(2)BDC.The 2D Co_(2)(OH)_(2)BDC-PAN/EP composite epoxy coatings showed robust mechanical performance and excellent corrosion resistance capacity.
