1N-Acetyl-3-（2,4-dichloro-5-fluoro-phenyl）-5-（p-methyl-phenyl）-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single-crystal diffraction. Ab intio calculations have...1N-Acetyl-3-（2,4-dichloro-5-fluoro-phenyl）-5-（p-methyl-phenyl）-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single-crystal diffraction. Ab intio calculations have been carded out for the compound by using both B3LYP and HF methods at the 6-31G^＊ basis set. The calculated results show that the predicted geometry can well reproduce the structural parameters. The electronic absorption spectra calculated by B3LYP/6-31G^＊ method are approximate to the experiments and the Natural Bond Orbital （NBO） analyses suggest that the above electronic transitions are mainly assigned to n→π^＊ and π→π^＊ transitions. CIS-HF/6-31G^＊ method is not suitable to predict the electronic spectra for the title compound. The calculation of the second order optical nonlinearity was carded out, giving the value of molecular hyperpolarizability equal to 2.194^＋ 10^-30 esu. On the basis of vibrational analyses, the thermodynamic properties of the compound at different temperature have been calculated, revealing the correlation between C p, m^0, S m^0, H m^0 and temperature.展开更多
The objectives of this study were to develop organogelators suitable for industrial use and to probe the viscosity-increasing mechanisms of such organic compounds. Butane 1,2,3,4-tetracar-boxamides, new organogelators...The objectives of this study were to develop organogelators suitable for industrial use and to probe the viscosity-increasing mechanisms of such organic compounds. Butane 1,2,3,4-tetracar-boxamides, new organogelators that each has four chemical side chains, were synthesized. Two oleyl groups, each with another two side chains that varied from C4 to C18, were introduced to control the solubility and crystallinity of the compounds, and their solubility and rheological properties in isododecane were evaluated. The rheological properties of different amide compounds, N,N’,N’’,N’’’-1,2,4,5-tetra alkyl/alkenyl pyromellitamides with the same four chemical side chains, were also obtained to consider the skeleton’s effect on self-assembled structures due to hydrogen bonding among amide groups. The viscosity-increasing mechanism of the compounds was discussed through linkage of the molecular design, rheological evaluation, and morphological observations in this paper.展开更多
Two complexes,Co（Hbim）2（NCS）2（Hbim=benzimidazole）（1） and [Cu（Hbzt）SCN]n（Hbzt=benzothiazole） （2） were synthesized by the same synthesis method and characterized by elemental analysis,infrared spectroscopy...Two complexes,Co（Hbim）2（NCS）2（Hbim=benzimidazole）（1） and [Cu（Hbzt）SCN]n（Hbzt=benzothiazole） （2） were synthesized by the same synthesis method and characterized by elemental analysis,infrared spectroscopy（IR）,thermogravimetric analysis（TGA）,X-ray powder diffraction（XRPD） and single-crystal X-ray diffraction.The results from the single-crystal X-ray diffraction indicate that complex 1 is zero-dimensional（0D） framework and complex 2 is 2-dimensional（2D） framework.In complex 2,the 3-dimensional（3D） supermolecular architecture was built up by means of π-π stacking interaction,and two helical chains existed in its structure.The luminescence properties and the magnetic properties of the two complexes were investigated.展开更多
Mn Fe2O4nanoparticles were synthesized by thermal decomposition of a metal–organic salt in organic solvent with a high boiling point.Some nanoparticles exhibited the triangular shape which has not been observed befor...Mn Fe2O4nanoparticles were synthesized by thermal decomposition of a metal–organic salt in organic solvent with a high boiling point.Some nanoparticles exhibited the triangular shape which has not been observed before as far as we know,while some nanoparticles formed the aggregates with different sizes and shapes.The strength of interparticle dipolar interaction was changed by diluting Mn Fe2O4nanoparticles in the SiO2 matrix with different concentrations.The strong dipolar interaction has been suggested to enhance the blocking temperature（TB）and suppress the remanence（Mr）to saturation（Ms）magnetization ratio（Mr/Ms）for the spherical-like cobalt ferrite nanoparticles in many previous reports.However,Mr/Msand TBof Mn Fe2O4 nanoparticles reported herein mainly depend on the size and shape of the nanoparticles and their aggregates.展开更多
基金supported by the Natural Science Foundation of Shandong Province (No. Z2007B01, Y2007B14)
文摘1N-Acetyl-3-（2,4-dichloro-5-fluoro-phenyl）-5-（p-methyl-phenyl）-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single-crystal diffraction. Ab intio calculations have been carded out for the compound by using both B3LYP and HF methods at the 6-31G^＊ basis set. The calculated results show that the predicted geometry can well reproduce the structural parameters. The electronic absorption spectra calculated by B3LYP/6-31G^＊ method are approximate to the experiments and the Natural Bond Orbital （NBO） analyses suggest that the above electronic transitions are mainly assigned to n→π^＊ and π→π^＊ transitions. CIS-HF/6-31G^＊ method is not suitable to predict the electronic spectra for the title compound. The calculation of the second order optical nonlinearity was carded out, giving the value of molecular hyperpolarizability equal to 2.194^＋ 10^-30 esu. On the basis of vibrational analyses, the thermodynamic properties of the compound at different temperature have been calculated, revealing the correlation between C p, m^0, S m^0, H m^0 and temperature.
文摘The objectives of this study were to develop organogelators suitable for industrial use and to probe the viscosity-increasing mechanisms of such organic compounds. Butane 1,2,3,4-tetracar-boxamides, new organogelators that each has four chemical side chains, were synthesized. Two oleyl groups, each with another two side chains that varied from C4 to C18, were introduced to control the solubility and crystallinity of the compounds, and their solubility and rheological properties in isododecane were evaluated. The rheological properties of different amide compounds, N,N’,N’’,N’’’-1,2,4,5-tetra alkyl/alkenyl pyromellitamides with the same four chemical side chains, were also obtained to consider the skeleton’s effect on self-assembled structures due to hydrogen bonding among amide groups. The viscosity-increasing mechanism of the compounds was discussed through linkage of the molecular design, rheological evaluation, and morphological observations in this paper.
基金Supported by the National Natural Science Foundation of China（Nos.20971014,21271024）,the Natural Science Foundation of Beijing City,China（No.2112037） and the Science and Technology Supported Planning Project of Hebei Province,China（No.12215117D）.
文摘Two complexes,Co（Hbim）2（NCS）2（Hbim=benzimidazole）（1） and [Cu（Hbzt）SCN]n（Hbzt=benzothiazole） （2） were synthesized by the same synthesis method and characterized by elemental analysis,infrared spectroscopy（IR）,thermogravimetric analysis（TGA）,X-ray powder diffraction（XRPD） and single-crystal X-ray diffraction.The results from the single-crystal X-ray diffraction indicate that complex 1 is zero-dimensional（0D） framework and complex 2 is 2-dimensional（2D） framework.In complex 2,the 3-dimensional（3D） supermolecular architecture was built up by means of π-π stacking interaction,and two helical chains existed in its structure.The luminescence properties and the magnetic properties of the two complexes were investigated.
基金supported by the National Natural Science Foundation of China (Grant Nos.51471001,11174004 and 11304001)
文摘Mn Fe2O4nanoparticles were synthesized by thermal decomposition of a metal–organic salt in organic solvent with a high boiling point.Some nanoparticles exhibited the triangular shape which has not been observed before as far as we know,while some nanoparticles formed the aggregates with different sizes and shapes.The strength of interparticle dipolar interaction was changed by diluting Mn Fe2O4nanoparticles in the SiO2 matrix with different concentrations.The strong dipolar interaction has been suggested to enhance the blocking temperature（TB）and suppress the remanence（Mr）to saturation（Ms）magnetization ratio（Mr/Ms）for the spherical-like cobalt ferrite nanoparticles in many previous reports.However,Mr/Msand TBof Mn Fe2O4 nanoparticles reported herein mainly depend on the size and shape of the nanoparticles and their aggregates.
