N-（2,3-Dimethyl-phenyl）-N＇-（methoxyl formyl）thiourea was synthesized by the reacting of 2,3-dimethylaniline,potassium thiocyanate（KSCN） and methyl chloroformate（ClCOOCH 3）.Single crystal was obtained by slowl...N-（2,3-Dimethyl-phenyl）-N＇-（methoxyl formyl）thiourea was synthesized by the reacting of 2,3-dimethylaniline,potassium thiocyanate（KSCN） and methyl chloroformate（ClCOOCH 3）.Single crystal was obtained by slowly evaporation solvent at room temperature.The structure was characterized by elemental analysis,IR and X-ray crystalography.The compound crystallized：a triclinic system with space group Pī,a=0.83440（12） nm,b=0.89113（13） nm,c=0.93015（13） nm,α=76.548（2） o,β=63.906（2） o,γ=82.538（2） o,V=0.60379（15） nm 3,Z=2,D c =1.311 mg/m 3,F（000）=252,μ=0.256 mm-1,R 1 =0.0379,wR 2 =0.0919.The specific heat capacity of the title compound was determined by a Micro-DSC method,and the specific heat capacity was 1.25 J·g-1 ·K-1 at 298.15 K.Thermodynamic functions,relative to those at the standard temperature of 298.15 K,were calculated via thermodynamic relationship.The thermal behavior of the title compound under a non-isothermal condition was studied by differential scanning calorimetry/thermogravimetric（DSC/TG） method.There was an obvious endothermic peak in the DSC curve,the peak temperature was 479.43 K.The compound mass loss was 89.94% observed from the TG curve.展开更多
A new energetic material,4,5-dimethoxy-2-（dinitromethylene）imidazolidine（DMDNI）,was synthesized by the reaction of 4,5-dihydroxyl-2-（dinitromethylene）-imidazolidine（DDNI） and methanol,and structurally characte...A new energetic material,4,5-dimethoxy-2-（dinitromethylene）imidazolidine（DMDNI）,was synthesized by the reaction of 4,5-dihydroxyl-2-（dinitromethylene）-imidazolidine（DDNI） and methanol,and structurally characterized by single crystal X-ray diffraction.DMDNI crystallized in triclinic space group P1,with crystal data a=0.4324（4） nm,b=1.3599（11） nm,c=1.7503（14） nm,α=77.406（14）°,β=84.494（15）°,γ=87.976（14）°,V=0.9997（14） nm 3,Z=4,μ=0.140 mm-1,F（000）=488,D c =1.556 g/cm ^3,R 1 =0.0773 and wR 2 =0.1574.Thermal decomposition of DMDNI was studied,and its thermal decomposition process was divided into two stages.The first stage was a melting process and the second stage was an exothermic decomposition process.The enthalpy,apparent activation energy and pre-exponential constant of the exothermic decomposition reaction are-491.5 J/g,142.3 kJ/mol and 10 14.24 s^-1,respectively.The critical temperature of thermal explosion is 162.47 °C.DMDNI has a lower thermal stability than DDNI but it is close to that of 4,5-diacetoxyl-2-（dinitromethylene）-imidazolidine（DADNI）.展开更多
A new compound, [（NH2）2C=NH2]＋N（NO2）2-（GDN）, was prepared by mixing ammonium dinitramide （ADN） and guanidine hydrochloride in water. The thermal behavior of GDN was studied under the non-isothermal conditions...A new compound, [（NH2）2C=NH2]＋N（NO2）2-（GDN）, was prepared by mixing ammonium dinitramide （ADN） and guanidine hydrochloride in water. The thermal behavior of GDN was studied under the non-isothermal conditions with DSC and TG/DTG methods. The apparent activation energy（E） and pre-exponential constant（A） of the exothermic decomposition stage of GDN were 118.75 kJ/mol and 10^10.86 s^-1, respectively. The critical temperature of the thermal explosion（Tb） of GDN was 164.09 ℃. The specific heat capacity of GDN was determined with the Micro-DSC method and the theoretical calculation method, and the standard molar specific heat capacity was 234.76 J·mol^-1·K^-1 at 298.15 K. The adiabatic time-to-explosion of GDN was also calculated to be a certain value between 404.80 and 454.95 s.展开更多
4-（4,6-Dimethoxyl-pyrimidin-2-yl）-3-thiourea carboxylic acid ethyl ester was synthesized by the reaction of 2-amino-4,6-dimethoxyl pyrimidine, potassium thiocyanate and methyl chloroformate in ethyl acetate. Single ...4-（4,6-Dimethoxyl-pyrimidin-2-yl）-3-thiourea carboxylic acid ethyl ester was synthesized by the reaction of 2-amino-4,6-dimethoxyl pyrimidine, potassium thiocyanate and methyl chloroformate in ethyl acetate. Single crystals suitable for X-ray measurement were obtained by recrystallization with the solvent of dimethyl formamide at room temperature. The crystal structure was determined by X-ray diffraction analysis. Crystallographic data： C10H14N4O4S, M, = 286.31, monoclinic, space group C2/c with a = 2.5309（3）, b = 0.67682（6）, c = 1.74237（19） nm, β = 114.744（3）°, V= 2.7106（5） nm3, Dc = 1.403 g/cm3, p = 0.225 mm-1, F（000） = 1200, Z= 8, R= 0.0514 and wR= 0.1529.展开更多
The thermal behavior and non-isothermal decomposition kinetics of 1-amino-1-hydrazino-2,2-dinitro-ethylene potassium salt[K（AHDNE）] were studied under the non-isothermal conditions by different scanning calorimeter...The thermal behavior and non-isothermal decomposition kinetics of 1-amino-1-hydrazino-2,2-dinitro-ethylene potassium salt[K（AHDNE）] were studied under the non-isothermal conditions by different scanning calorimeter（DSC） method. The thermal behavior of K（AHDNE） presents three exothermic decomposition processes. The kinetic equation of the first thermal decomposition reaction obtained is dα/dT=（1019.63/β）3（1-α）[-ln（1-α）]2/3exp（-1.862× 105/RT）. The self-accelerating decomposition temperature（TSADT） and critical temperature of thermal explosion（Tb） of K（AHDNE） are 162.5 and 171.4 °C, respectively. K（AHDNE） has higher thermal stability than AHDNE.展开更多
A new high-energy organic magnesium salt [Mg（H2O）6]（BTATz）·2H2O[BTATz=3,6-bis（1H-1,2,3,4-tetrazol-5-yl-amino）-1,2,4,5-tetrazine] was synthesized and characterized by elemental analysis and Fourier transform...A new high-energy organic magnesium salt [Mg（H2O）6]（BTATz）·2H2O[BTATz=3,6-bis（1H-1,2,3,4-tetrazol-5-yl-amino）-1,2,4,5-tetrazine] was synthesized and characterized by elemental analysis and Fourier transform infrared（FTIR） spectrometry.Its crystal structure was determined by X-ray single crystal diffraction.The crystal belongs to monoclinic system with space group C2/c and a=2.1329（7） nm,b=0.52275（16） nm,c=1.5909（5） nm,β=100.471（6）°,V=1.7443（9） nm3,Z=4,μ=0.361 mm-1,F（000）=900 and Dc=1.644 g/cm3.Meanwhile,the thermal behavior of [Mg（H2O）6]（BTATz）·2H2O was studied under the non-isothermal conditions by differential scanning calorimetry（DSC） and thermalgravity-differential thermalgravity（TG-DTG） methods.The enthalpy,apparent activation energy and per-exponential factor of the main exothermic decomposition reaction are 898.88 J/g,139.2 kJ/mol and 1010.48 S-1,respectively.The values of the self-accelerating decomposition temperature（TsADT）,the thermal ignition temperature（TTIT） and the critical temperature of thermal explosion（Tb） for [Mg（H2O）6]（BTATz）.2H2O are 515.13,532.08 and 565.99 K,respectively.展开更多
基金Supported by the National Natural Science Foundation of China(No.20571060)the Natural Science Foundation of Shaanxi Province,China(No.2007B08)
文摘N-（2,3-Dimethyl-phenyl）-N＇-（methoxyl formyl）thiourea was synthesized by the reacting of 2,3-dimethylaniline,potassium thiocyanate（KSCN） and methyl chloroformate（ClCOOCH 3）.Single crystal was obtained by slowly evaporation solvent at room temperature.The structure was characterized by elemental analysis,IR and X-ray crystalography.The compound crystallized：a triclinic system with space group Pī,a=0.83440（12） nm,b=0.89113（13） nm,c=0.93015（13） nm,α=76.548（2） o,β=63.906（2） o,γ=82.538（2） o,V=0.60379（15） nm 3,Z=2,D c =1.311 mg/m 3,F（000）=252,μ=0.256 mm-1,R 1 =0.0379,wR 2 =0.0919.The specific heat capacity of the title compound was determined by a Micro-DSC method,and the specific heat capacity was 1.25 J·g-1 ·K-1 at 298.15 K.Thermodynamic functions,relative to those at the standard temperature of 298.15 K,were calculated via thermodynamic relationship.The thermal behavior of the title compound under a non-isothermal condition was studied by differential scanning calorimetry/thermogravimetric（DSC/TG） method.There was an obvious endothermic peak in the DSC curve,the peak temperature was 479.43 K.The compound mass loss was 89.94% observed from the TG curve.
基金Supported by the National Natural Science Foundation of China(No.20803058)the Basal Science Foundation of National Defense(No.B0920110005)+1 种基金the Science Program Foundation of Shaanxi Province,China(No.2011kjxx31)the Education Committee Foundation of Shaanxi Province,China(No.2010JK881)
文摘A new energetic material,4,5-dimethoxy-2-（dinitromethylene）imidazolidine（DMDNI）,was synthesized by the reaction of 4,5-dihydroxyl-2-（dinitromethylene）-imidazolidine（DDNI） and methanol,and structurally characterized by single crystal X-ray diffraction.DMDNI crystallized in triclinic space group P1,with crystal data a=0.4324（4） nm,b=1.3599（11） nm,c=1.7503（14） nm,α=77.406（14）°,β=84.494（15）°,γ=87.976（14）°,V=0.9997（14） nm 3,Z=4,μ=0.140 mm-1,F（000）=488,D c =1.556 g/cm ^3,R 1 =0.0773 and wR 2 =0.1574.Thermal decomposition of DMDNI was studied,and its thermal decomposition process was divided into two stages.The first stage was a melting process and the second stage was an exothermic decomposition process.The enthalpy,apparent activation energy and pre-exponential constant of the exothermic decomposition reaction are-491.5 J/g,142.3 kJ/mol and 10 14.24 s^-1,respectively.The critical temperature of thermal explosion is 162.47 °C.DMDNI has a lower thermal stability than DDNI but it is close to that of 4,5-diacetoxyl-2-（dinitromethylene）-imidazolidine（DADNI）.
基金Supported by the National Natural Science Foundation of China(No.20803058)Xi’an Scientific and Technical Plan Foundation, China(No.YF07106).
文摘A new compound, [（NH2）2C=NH2]＋N（NO2）2-（GDN）, was prepared by mixing ammonium dinitramide （ADN） and guanidine hydrochloride in water. The thermal behavior of GDN was studied under the non-isothermal conditions with DSC and TG/DTG methods. The apparent activation energy（E） and pre-exponential constant（A） of the exothermic decomposition stage of GDN were 118.75 kJ/mol and 10^10.86 s^-1, respectively. The critical temperature of the thermal explosion（Tb） of GDN was 164.09 ℃. The specific heat capacity of GDN was determined with the Micro-DSC method and the theoretical calculation method, and the standard molar specific heat capacity was 234.76 J·mol^-1·K^-1 at 298.15 K. The adiabatic time-to-explosion of GDN was also calculated to be a certain value between 404.80 and 454.95 s.
基金supported by the National Natural Science Foundation of China (20571060)Natural Science Foundation of Shaanxi Province (2007B08)Education Committee of Shaanxi Province (05JK294)
文摘4-（4,6-Dimethoxyl-pyrimidin-2-yl）-3-thiourea carboxylic acid ethyl ester was synthesized by the reaction of 2-amino-4,6-dimethoxyl pyrimidine, potassium thiocyanate and methyl chloroformate in ethyl acetate. Single crystals suitable for X-ray measurement were obtained by recrystallization with the solvent of dimethyl formamide at room temperature. The crystal structure was determined by X-ray diffraction analysis. Crystallographic data： C10H14N4O4S, M, = 286.31, monoclinic, space group C2/c with a = 2.5309（3）, b = 0.67682（6）, c = 1.74237（19） nm, β = 114.744（3）°, V= 2.7106（5） nm3, Dc = 1.403 g/cm3, p = 0.225 mm-1, F（000） = 1200, Z= 8, R= 0.0514 and wR= 0.1529.
基金Supported by the National Natural Science Foundation of China(No.20803058)the Shaanxi Provincial Science Program Foundation, China(No.2011kjxx31)the Education Committee Foundation of Shaanxi Province, China(Nos.2010JK881,12JK0636)
文摘The thermal behavior and non-isothermal decomposition kinetics of 1-amino-1-hydrazino-2,2-dinitro-ethylene potassium salt[K（AHDNE）] were studied under the non-isothermal conditions by different scanning calorimeter（DSC） method. The thermal behavior of K（AHDNE） presents three exothermic decomposition processes. The kinetic equation of the first thermal decomposition reaction obtained is dα/dT=（1019.63/β）3（1-α）[-ln（1-α）]2/3exp（-1.862× 105/RT）. The self-accelerating decomposition temperature（TSADT） and critical temperature of thermal explosion（Tb） of K（AHDNE） are 162.5 and 171.4 °C, respectively. K（AHDNE） has higher thermal stability than AHDNE.
基金Supported by the National Natural Science Foundation of China（No.21101127）, the Natural Science Basic Research Plan in Shaanxi Province of China（No.2011JQ2002）, the China Postdoctoral Science Foundation Funded Proj ect（No.20110491676）, the National Defense Pre-research Foundation of China（No.9140A28020111BQ3401） and the National Defense Pre-research Foun-dation of China（No.A312011005）.
文摘A new high-energy organic magnesium salt [Mg（H2O）6]（BTATz）·2H2O[BTATz=3,6-bis（1H-1,2,3,4-tetrazol-5-yl-amino）-1,2,4,5-tetrazine] was synthesized and characterized by elemental analysis and Fourier transform infrared（FTIR） spectrometry.Its crystal structure was determined by X-ray single crystal diffraction.The crystal belongs to monoclinic system with space group C2/c and a=2.1329（7） nm,b=0.52275（16） nm,c=1.5909（5） nm,β=100.471（6）°,V=1.7443（9） nm3,Z=4,μ=0.361 mm-1,F（000）=900 and Dc=1.644 g/cm3.Meanwhile,the thermal behavior of [Mg（H2O）6]（BTATz）·2H2O was studied under the non-isothermal conditions by differential scanning calorimetry（DSC） and thermalgravity-differential thermalgravity（TG-DTG） methods.The enthalpy,apparent activation energy and per-exponential factor of the main exothermic decomposition reaction are 898.88 J/g,139.2 kJ/mol and 1010.48 S-1,respectively.The values of the self-accelerating decomposition temperature（TsADT）,the thermal ignition temperature（TTIT） and the critical temperature of thermal explosion（Tb） for [Mg（H2O）6]（BTATz）.2H2O are 515.13,532.08 and 565.99 K,respectively.
