A new supermolecule coordination compound of perchlorate di(4- amino- 1,2,4- tri azole- 5- one)silver(I) was synthesized. It was characterized by element analysis, FT- IR, X- ray crystallogram and single crystal diffr...A new supermolecule coordination compound of perchlorate di(4- amino- 1,2,4- tri azole- 5- one)silver(I) was synthesized. It was characterized by element analysis, FT- IR, X- ray crystallogram and single crystal diffraction. The titled complex was also studied by means of TG- DTG and DSC under conditions of linear temperature increase. The thermal decomposition remainders were determined by infrared spectroscopic analysis. Thermal decomposition mechanism of the title coordination compound was suggested.展开更多
Based on the theory of crystallization,a solvent-free solid-liquid phase crystallization method called solid-melt crystallization was designed to prepare energetic coordination polymers.Two target compounds[Cu(NPyz)_(...Based on the theory of crystallization,a solvent-free solid-liquid phase crystallization method called solid-melt crystallization was designed to prepare energetic coordination polymers.Two target compounds[Cu(NPyz)_(4)NO_(3)]·NO_(3)(ECPs-1)and Cu(NPyz)_(4)(ClO_(4))_(2)(ECCs-2)were prepared through programmed heating and cooling by using 4-nitropyrazole(NPyz),(Cu(NO_(3))_(2)·5H_(2)O and Cu(ClO_(4))_(2)·5H_(2)O) as raw materials.In addition,crystallization pre-experiments and annealing experiments also verified the feasibility of the method.Their structures were confirmed by IR,elemental analysis,single-crystal X-ray diffraction and powder X-ray diffraction.The physicochemical properties and sensitivity test results showed that ECCs-2 has better thermal stability(T_(d)=221℃),while ECPs-1 is less sensitive to mechanical stimuli(IS=12 J,FS=240 N).Calculations based on EXPLO5 and the Kamlet-Jacobs equation showed that ECCs-2 has more considerable detonation performance(P=25.2 GPa,D=7.5 km/s).In comparison,the more intuitive results from the HN test,flame test,thermal resistance test and lead plate explosion test revealed that ECCs-2 has an“acceptable”detonation performance.The laser detonation test also showed that ECCs-2 is a promising excellent laser detonation material(E=408 mJ,P=24 W,τ=17 ms).展开更多
Guanidimium-4,4-azo-l-hydro-1,2,4-triazol-5-one （GZTO·H2O） was synthesized from 4-amino-1,2,4-triazol- 5-one as a starting material by two-step including oxidation coupling using acid KMnO4 and reaction with （...Guanidimium-4,4-azo-l-hydro-1,2,4-triazol-5-one （GZTO·H2O） was synthesized from 4-amino-1,2,4-triazol- 5-one as a starting material by two-step including oxidation coupling using acid KMnO4 and reaction with （NH2）2C=NHoHNO3 （GN） in KOH solution. The single crystal of the title compound was obtained by slow evapo- ration method at room temperature, and its structure was firstly determined with X-ray single-crystal diffractometer. It is a orthorhombic crystal, space group Pbca with cell dimensions of a = 1.0459（2） nm, b =- 1.3584（3） nm, c= 1.6103（3） nm, a= 90.00（10）°, β=90.00（11）°,γ=90.00（11）°, V=2.2878（8） nm3, Z=8, De= 1.587 gocm-3, F（000） = 1136,/l = 0.132 mm- 1, R1 = 0.0455, wR2 = 0. 1397. The thermal behavior of GZTO·H2O was studied under a non-isothermal condition by DSC-TGA method, and its thermal decomposition process can be divided into three stages, and the first stage is an intense exothermic decomposition process. The second stage and the third stage are slow exothermic decomposition processes. The critical temperature of thermal explosion is 237.74℃.展开更多
Two N-donor ligands mediated Cd（Ⅱ） coordination polymers, namely,[Cd（L）（dmpz）2]n （1） and {[Cd（L）（atr）05（H20）]（H2O）}n （2） （H2L = methyl-3-hydroxy-5-carboxy-2-thiophenecarboxylate, dmpz = 3,5-dimethy...Two N-donor ligands mediated Cd（Ⅱ） coordination polymers, namely,[Cd（L）（dmpz）2]n （1） and {[Cd（L）（atr）05（H20）]（H2O）}n （2） （H2L = methyl-3-hydroxy-5-carboxy-2-thiophenecarboxylate, dmpz = 3,5-dimethylpyrazole, and atr= 4-amino-l,2,4-triazole）, havebeen produced. Their structures were characterized by single-crystal X-ray diffraction analysis,elemental analyses and infrared spectra. Compound 1 possesses a one-dimensional （1D） chainstructure and is finally extended into a three-dimensional （3D） supramolecular architecturethough hydrogen bonding interactions. Compound 2 features a two-dimensional （2D） networkwith 4-connected sql topology based on dinuclear Cd（Ⅱ） clusters as nodes, which is alsoassembled into a 3D supramolecular architecture through hydrogen bonding interactions.Furthermore, compounds 1 and 2 exhibit high thermal stabilities and intense fluorescent emissionin the solid, and can be explored as potential luminescent materials.展开更多
文摘A new supermolecule coordination compound of perchlorate di(4- amino- 1,2,4- tri azole- 5- one)silver(I) was synthesized. It was characterized by element analysis, FT- IR, X- ray crystallogram and single crystal diffraction. The titled complex was also studied by means of TG- DTG and DSC under conditions of linear temperature increase. The thermal decomposition remainders were determined by infrared spectroscopic analysis. Thermal decomposition mechanism of the title coordination compound was suggested.
基金the projects of National Natural Science Foundation of China(Grant Nos.22175025 and 21905023)for their generous financial support.
文摘Based on the theory of crystallization,a solvent-free solid-liquid phase crystallization method called solid-melt crystallization was designed to prepare energetic coordination polymers.Two target compounds[Cu(NPyz)_(4)NO_(3)]·NO_(3)(ECPs-1)and Cu(NPyz)_(4)(ClO_(4))_(2)(ECCs-2)were prepared through programmed heating and cooling by using 4-nitropyrazole(NPyz),(Cu(NO_(3))_(2)·5H_(2)O and Cu(ClO_(4))_(2)·5H_(2)O) as raw materials.In addition,crystallization pre-experiments and annealing experiments also verified the feasibility of the method.Their structures were confirmed by IR,elemental analysis,single-crystal X-ray diffraction and powder X-ray diffraction.The physicochemical properties and sensitivity test results showed that ECCs-2 has better thermal stability(T_(d)=221℃),while ECPs-1 is less sensitive to mechanical stimuli(IS=12 J,FS=240 N).Calculations based on EXPLO5 and the Kamlet-Jacobs equation showed that ECCs-2 has more considerable detonation performance(P=25.2 GPa,D=7.5 km/s).In comparison,the more intuitive results from the HN test,flame test,thermal resistance test and lead plate explosion test revealed that ECCs-2 has an“acceptable”detonation performance.The laser detonation test also showed that ECCs-2 is a promising excellent laser detonation material(E=408 mJ,P=24 W,τ=17 ms).
基金Project Supported by the National Natural Science Foundation of China （No. 20803058） and the Natural Science Foundation of Shaanxi Province （No. 2007B08）.
文摘Guanidimium-4,4-azo-l-hydro-1,2,4-triazol-5-one （GZTO·H2O） was synthesized from 4-amino-1,2,4-triazol- 5-one as a starting material by two-step including oxidation coupling using acid KMnO4 and reaction with （NH2）2C=NHoHNO3 （GN） in KOH solution. The single crystal of the title compound was obtained by slow evapo- ration method at room temperature, and its structure was firstly determined with X-ray single-crystal diffractometer. It is a orthorhombic crystal, space group Pbca with cell dimensions of a = 1.0459（2） nm, b =- 1.3584（3） nm, c= 1.6103（3） nm, a= 90.00（10）°, β=90.00（11）°,γ=90.00（11）°, V=2.2878（8） nm3, Z=8, De= 1.587 gocm-3, F（000） = 1136,/l = 0.132 mm- 1, R1 = 0.0455, wR2 = 0. 1397. The thermal behavior of GZTO·H2O was studied under a non-isothermal condition by DSC-TGA method, and its thermal decomposition process can be divided into three stages, and the first stage is an intense exothermic decomposition process. The second stage and the third stage are slow exothermic decomposition processes. The critical temperature of thermal explosion is 237.74℃.
基金The National Natural Science foundation of China(0603026)The Education Committee Foundation of Shaanxi Province(6JK172)The Provincial Natural Foundation of Shaanxi(2005B15)
基金supported by the National Natural Science of Foundation of China(No.21671094)
文摘Two N-donor ligands mediated Cd（Ⅱ） coordination polymers, namely,[Cd（L）（dmpz）2]n （1） and {[Cd（L）（atr）05（H20）]（H2O）}n （2） （H2L = methyl-3-hydroxy-5-carboxy-2-thiophenecarboxylate, dmpz = 3,5-dimethylpyrazole, and atr= 4-amino-l,2,4-triazole）, havebeen produced. Their structures were characterized by single-crystal X-ray diffraction analysis,elemental analyses and infrared spectra. Compound 1 possesses a one-dimensional （1D） chainstructure and is finally extended into a three-dimensional （3D） supramolecular architecturethough hydrogen bonding interactions. Compound 2 features a two-dimensional （2D） networkwith 4-connected sql topology based on dinuclear Cd（Ⅱ） clusters as nodes, which is alsoassembled into a 3D supramolecular architecture through hydrogen bonding interactions.Furthermore, compounds 1 and 2 exhibit high thermal stabilities and intense fluorescent emissionin the solid, and can be explored as potential luminescent materials.
