A new metal-organic hybrid compound?[Fe(O3C4)(COO)]·H2O I has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction. Rust crystals crystallize in the monoclinic system, space group...A new metal-organic hybrid compound?[Fe(O3C4)(COO)]·H2O I has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction. Rust crystals crystallize in the monoclinic system, space group I2/a, a = 6.9651(2) A, b = 8.12630(10) A, c = 19.4245(2) A, β = 92.6600(10)°;V = 1098.25(4) A3;Z = 2 and Dx =3.63g/cm3. The refinement converged into R = 0.042;Rw = 0.058. The structure, determined by single crystal X-ray diffraction, consists of a network of FeO6 centers, octahedral coordinated by btec (btec = 1,2,4,5-benzenetetracarboxylic acid) anions giving rise to a two-dimensional sheet structure. In the compound I,?[Fe(O3C4)(COO)]·H2O, the FeO6 group bridged by the 1,2,4,5-benzenetetracarboxyl anion exist in a unit cell, with each anion lying about an inversion centre. One of the FeO2 adistance [1.965(2)] significantly corresponds to the shortest distance as the other and the distances found in the axial direction of compound I.展开更多
New crystal of FeF4（2,2′-bipyridine）（H2O）2 was prepared by hydrothermal synthesis. Crystalline structure determination is performed from single crystal X-ray diffraction data. The unit cell is monoclinic space gr...New crystal of FeF4（2,2′-bipyridine）（H2O）2 was prepared by hydrothermal synthesis. Crystalline structure determination is performed from single crystal X-ray diffraction data. The unit cell is monoclinic space group P21/n, with cell parameters a=0.9046（5） nm, b=0.7502（5） nm, c=1.9539（5） nm,β=93.307（5）°, V=1.3238（12） nm^3 and Z=4. The structure of FeF4（2,2＇-bipyridine）（H2O）2 is built up from FeF4N2 octahedra coordinated by two nitrogen atoms of the 2,2＇-bipyridine molecules, and four fluorine atoms as well as uncoordinated H2O molecules. Thermal analysis of the title compound showed that the decomposition introduced four steps. IR spectra confirmed the presence of 2,2＇-bipyridine molecules. The optical absorption was measured at the corresponding 2max using UV-Vis diffuse reflectance spectrum.展开更多
The new organic-inorganic compound, [C_6H_7N_2O_2]_3TeCl_5·2Cl was synthesized and its structure was determined at room temperature in the triclinic system （P^-1） with the following parameters： a = 10.5330（11...The new organic-inorganic compound, [C_6H_7N_2O_2]_3TeCl_5·2Cl was synthesized and its structure was determined at room temperature in the triclinic system （P^-1） with the following parameters： a = 10.5330（11） ？, b = 10.6663（11） ？, c = 15.9751（16）？, α = 82.090（2）°, β = 71.193（2）°, γ = 68.284（2）°and Z = 2. The final cycle of refinement led to R = 0.057 and Rw = 0.149. The crystal structure was stabilized by an extensive network of N--H···Cl and non-classical C--H···Cl hydrogen bonds between the cation and the anionic group. Several thermal analysis techniques such as thermogravimetric analysis, differential scanning calorimetric analysis and evolved gas analysis were used. We used isoconversional kinetics methods to determine the kinetics parameters. We observe that the decomposition of [C_6H_7N_2O_2]_3TeCl_5·2Cl entails the formation hydrochloric acid of nitroaniline as volatiles. The infrared spectra were recorded in the4000–400 cm^（-1）frequency region. The Raman spectra were recorded in the external region of the anionic sublattice vibration 50–1500 cm^（-1）. The optical band gap was calculated from the UV-Vis absorbance spectra using classical Tauc relation which was found to be 3.12 and 3.67 eV.展开更多
文摘A new metal-organic hybrid compound?[Fe(O3C4)(COO)]·H2O I has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction. Rust crystals crystallize in the monoclinic system, space group I2/a, a = 6.9651(2) A, b = 8.12630(10) A, c = 19.4245(2) A, β = 92.6600(10)°;V = 1098.25(4) A3;Z = 2 and Dx =3.63g/cm3. The refinement converged into R = 0.042;Rw = 0.058. The structure, determined by single crystal X-ray diffraction, consists of a network of FeO6 centers, octahedral coordinated by btec (btec = 1,2,4,5-benzenetetracarboxylic acid) anions giving rise to a two-dimensional sheet structure. In the compound I,?[Fe(O3C4)(COO)]·H2O, the FeO6 group bridged by the 1,2,4,5-benzenetetracarboxyl anion exist in a unit cell, with each anion lying about an inversion centre. One of the FeO2 adistance [1.965(2)] significantly corresponds to the shortest distance as the other and the distances found in the axial direction of compound I.
文摘New crystal of FeF4（2,2′-bipyridine）（H2O）2 was prepared by hydrothermal synthesis. Crystalline structure determination is performed from single crystal X-ray diffraction data. The unit cell is monoclinic space group P21/n, with cell parameters a=0.9046（5） nm, b=0.7502（5） nm, c=1.9539（5） nm,β=93.307（5）°, V=1.3238（12） nm^3 and Z=4. The structure of FeF4（2,2＇-bipyridine）（H2O）2 is built up from FeF4N2 octahedra coordinated by two nitrogen atoms of the 2,2＇-bipyridine molecules, and four fluorine atoms as well as uncoordinated H2O molecules. Thermal analysis of the title compound showed that the decomposition introduced four steps. IR spectra confirmed the presence of 2,2＇-bipyridine molecules. The optical absorption was measured at the corresponding 2max using UV-Vis diffuse reflectance spectrum.
基金partially funded by the Tunisian Ministry of Higher Education and Scientific Research,the Spanish Programa Nacional de Materiales through project MAT2014-51778-C2-2-Rby the Universitat de Girona contract No.MPCUd G2016/059.Dfinancial support of the Tunisian Ministry of Higher Education and Scientific Research
文摘The new organic-inorganic compound, [C_6H_7N_2O_2]_3TeCl_5·2Cl was synthesized and its structure was determined at room temperature in the triclinic system （P^-1） with the following parameters： a = 10.5330（11） ？, b = 10.6663（11） ？, c = 15.9751（16）？, α = 82.090（2）°, β = 71.193（2）°, γ = 68.284（2）°and Z = 2. The final cycle of refinement led to R = 0.057 and Rw = 0.149. The crystal structure was stabilized by an extensive network of N--H···Cl and non-classical C--H···Cl hydrogen bonds between the cation and the anionic group. Several thermal analysis techniques such as thermogravimetric analysis, differential scanning calorimetric analysis and evolved gas analysis were used. We used isoconversional kinetics methods to determine the kinetics parameters. We observe that the decomposition of [C_6H_7N_2O_2]_3TeCl_5·2Cl entails the formation hydrochloric acid of nitroaniline as volatiles. The infrared spectra were recorded in the4000–400 cm^（-1）frequency region. The Raman spectra were recorded in the external region of the anionic sublattice vibration 50–1500 cm^（-1）. The optical band gap was calculated from the UV-Vis absorbance spectra using classical Tauc relation which was found to be 3.12 and 3.67 eV.
