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
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.
