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A series of Mo-impregnated Hβ samples, with MoO3 loading in Hβ zeolite in the mass fraction range of 0. 5%-6.0%, were studied by means of XRD and IR in order to characterize their structures. Mo/Hβ sampies‘ crystallinity almost linearly decreases with increasing the amount of MoO3 loaded, The IR spectra and XRD patterns suggest that the progressive destabilization of the Hβ zeolite structure is caused by increasing Mo loading in (MoO3 Hβ zeolite). During the calcination, Al2(MoO4)3 formed from the dealumination of Hβ zeolite, causes the substantially partial breakdown of the zeolite framework when the Mo loading in MoO3 Hβ is relatively high. 相似文献
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Novel macrocyclic monooxa-diselkylene-1,ω-dioxy substituted calix[4]arene derivatives 1a-5a were synthesized by the reaction of calix[4]arene dibromides 1-5 with the disodium salt of bis(2-selenylethyl)ether in the yields between 28% and 64%. Their structures were characterized by proton and carbon NMR spectra. X-Ray structure analysis of la further confirmed the cone conformation of compounds 1a-5a. An interesting host-guest complex of la with dichloromethane via CH/π and C1/π interactions was elucidated. Extraction experiments showed that these novel monooxa-diselkylene-1,ω-dioxy substituted calix[4]arene derivatives 1a-5a had strong extraction ability towards mercury ion. The interaction of Hg^2+with the calix ligand has also been investigated by 1^H NMR titration. 相似文献
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基于MP2/6-311+G(d)水平, 分别对过渡金属Ti和碱金属Na与O2的反应机理进行了研究. 比较了Ti和Na分别以垂直O—O键和沿着O—O键的方向逼近O2, 以及中性体系Ti/Na+O2和带1个负电荷的体系(Ti/Na+O2)-的情况. 详细分析了不同反应路径的结合能和电荷变化的曲线, 预测了最佳反应方式. 结果表明, 垂直接近方式要比水平接近方式更具有优势; 体系带一个负电荷(Ti/Na+O2)-有利于金属与O2的结合. 同时, 计算结果表明在Ti+O2和(Ti+O2)-体系中Ti容易与单态的O2结合; 在中性体系中Na也容易与单态O2结合, 而在(Na+O2)-体系中Na与三态O2的结合更稳定. 在CCSD(T)/6-311++G(3df)//MP2/6-311+G(d)水平下, 计算了Ti+O2和(Ti+O2)-的反应势能面. 相似文献
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Three new isostructural coordination polymers, namely, [Mg(cpna)(H_2O)_2]_n(1), [Mn(cpna)(H_2O)_2]_n(2) and [Co(cpna)(H_2O)_2]_n(3)(H_2 cpna = 5-(3-carboxylphenyl)nicotic acid) are reported. They were synthesized by hydrothermal reactions of transition metal or alkaline earth metal chloride with 5-(3-carboxylphenyl)nicotic acid,respectively. Complexes 1~3 exhibit 2D layers with a 3,3-connected topology with Schl?fli symbol {4.82}. Such layers including hexagonal rings and a quadrangular ring are further extended into an ordered 3D framework by hydrogen bonds between the cpna~(2-) ligands and water molecules. The rare complex 1 has excellent luminescence and can be used as luminescent materials, while 2 and 3 possess prominent magnetism with potential applications in magnetic materials. 相似文献
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A Novel (4,6)-Connected Net Based on Dysprosium Benzenedicarboxylate, [Dy(OAc)(BDC)]n 总被引:2,自引:1,他引:1
ZHANG Lei LI Zhao-Ji QIN Ye-Yan CHENG Jian-Kai YAO Yuan-Gen 《结构化学》2008,27(8):915-918
A new lanthanide coordination polymer, [Dy(OAc)(BDC)]n 1 (OAc = acetate, BDC = 1,4-benzenediacarboxylate), has been synthesized under hydrothermal conditions. Single-crystal X-ray diffraction analysis reveals that complex 1 has infinite zigzag Dy-OAc chains, which are further connected by BDC to form a 3D metal-organic framework. According to topology analysis, this framework can be characterized as (4,6)-connected (3.4.54)(32.4.56.66) net that has never been reported before. Crystal structure for 1: space group Pbca, a = 13.314(3), b = 8.0269(18), c = 20.275(5)A, V= 2166.8(9)A3, C10H7O6Dy, Mr = 385.66, Z= 8, Dc = 2.364 g/cm^3, μ= 6.910 mm^-1, F(000) = 1448, the final R = 0.0181 and wR = 0.0520. 相似文献