Metal-organic frameworks （MOFs） have been emerging as important multifunctional hybrid materials, not only due to the diversify framework architectures, but also contribute to the rich interactions among metals, lig...Metal-organic frameworks （MOFs） have been emerging as important multifunctional hybrid materials, not only due to the diversify framework architectures, but also contribute to the rich interactions among metals, ligands and guests. Nitro explosives have important influences tbr environmental protection and national homeland security, in this review, a brief description of luminescent MOFs is presented, accompanied by a short comment on the four types of metal-based luminescent MOFs as sensing materials for nitro explosives detection. Then the trends and challenges of luminescent MOFs as sensing materials ibr nitro explosives are also prospected.展开更多
A microporous luminescent metal-organic framework [Zn4L2（H2O）2]＇（H2O）m（DMA）n （1） （H4L=5,5＇-（（1H-pyrazole-3,5-di- carbonyl）bis（azanediyl））diisophthalic acid, DMA=N,N-dimethylacetamide） was synthesized...A microporous luminescent metal-organic framework [Zn4L2（H2O）2]＇（H2O）m（DMA）n （1） （H4L=5,5＇-（（1H-pyrazole-3,5-di- carbonyl）bis（azanediyl））diisophthalic acid, DMA=N,N-dimethylacetamide） was synthesized and characterized by infrared ra- diation （IR）, thermogravimetric analyses （TGA）, powder X-ray diffraction spectra （PXRD） and X-ray diffraction. Complex 1 has a three dimensional （3D） framework, which can be simplified as 5,5,5,5-c net with the Schlafi symbol of {43.64.83} {44.65.8 } {45.65 }2. This luminescent metal-organic framework （MOF） shows selectively sensitive to nitrobenzene and series of nitroaromatic explosives such as 4-nitrotoluene, 1,4-dinitrobenzene, 1,3-dinitrobenzene and 2,4-dinitrotoluene, and exhibits well recyclability. So complex 1 could be used to detect nitroaromatic explosives as a selective sensing material.展开更多
运用密度泛函理论对5种硝基苯胺炸药结构进行了几何优化和频率计算。结果表明,所有化合物均无虚频,是势能面上的局部极小值,为稳定结构。计算了描述其芳香性的HOMA(harmonic oscillator model of aromaticity)和NICS(Nucleus-independen...运用密度泛函理论对5种硝基苯胺炸药结构进行了几何优化和频率计算。结果表明,所有化合物均无虚频,是势能面上的局部极小值,为稳定结构。计算了描述其芳香性的HOMA(harmonic oscillator model of aromaticity)和NICS(Nucleus-independent chemical shifts)数值,研究了芳香性与撞击感度的关系。结果表明,随着芳香性增大,撞击感度增大,两者存在很好的相关性。提出用芳香性定量数据HOMA和NICS来表征炸药撞击感度是一种可行的方法。展开更多
基金supported by the National Natural Science Foundation of China (21301005)the Natural Science Foundation of Anhui Province (1408085QB31)the open fund of Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control (KFK201508)
文摘Metal-organic frameworks （MOFs） have been emerging as important multifunctional hybrid materials, not only due to the diversify framework architectures, but also contribute to the rich interactions among metals, ligands and guests. Nitro explosives have important influences tbr environmental protection and national homeland security, in this review, a brief description of luminescent MOFs is presented, accompanied by a short comment on the four types of metal-based luminescent MOFs as sensing materials for nitro explosives detection. Then the trends and challenges of luminescent MOFs as sensing materials ibr nitro explosives are also prospected.
基金supported by the National Basic Research Program of China (2014CB845600)the National Natural Science of Foundation of China (21371102, 21421001)+1 种基金the MOE Innovation Team of China (IRT13022)the China Postdoctoral Science Foundation funded project (2015M571260)
文摘A microporous luminescent metal-organic framework [Zn4L2（H2O）2]＇（H2O）m（DMA）n （1） （H4L=5,5＇-（（1H-pyrazole-3,5-di- carbonyl）bis（azanediyl））diisophthalic acid, DMA=N,N-dimethylacetamide） was synthesized and characterized by infrared ra- diation （IR）, thermogravimetric analyses （TGA）, powder X-ray diffraction spectra （PXRD） and X-ray diffraction. Complex 1 has a three dimensional （3D） framework, which can be simplified as 5,5,5,5-c net with the Schlafi symbol of {43.64.83} {44.65.8 } {45.65 }2. This luminescent metal-organic framework （MOF） shows selectively sensitive to nitrobenzene and series of nitroaromatic explosives such as 4-nitrotoluene, 1,4-dinitrobenzene, 1,3-dinitrobenzene and 2,4-dinitrotoluene, and exhibits well recyclability. So complex 1 could be used to detect nitroaromatic explosives as a selective sensing material.
文摘运用密度泛函理论对5种硝基苯胺炸药结构进行了几何优化和频率计算。结果表明,所有化合物均无虚频,是势能面上的局部极小值,为稳定结构。计算了描述其芳香性的HOMA(harmonic oscillator model of aromaticity)和NICS(Nucleus-independent chemical shifts)数值,研究了芳香性与撞击感度的关系。结果表明,随着芳香性增大,撞击感度增大,两者存在很好的相关性。提出用芳香性定量数据HOMA和NICS来表征炸药撞击感度是一种可行的方法。
