The solubility and supersolubility of 3,4-bis(3-nitrofurazan-4-yl)furoxan(DNTF) in ethanol + water at different operation were determined by laser monitoring system under atmospheric pressure to study the metastable z...The solubility and supersolubility of 3,4-bis(3-nitrofurazan-4-yl)furoxan(DNTF) in ethanol + water at different operation were determined by laser monitoring system under atmospheric pressure to study the metastable zone width(MSZW). The modified Apelblat equation was adopted to correlate the experimental solubility data, and the correlation result showed perfect consistent with the experimental data. The standard dissolution enthalpy, standard dissolution entropy and Gibbs energy were calculated according to the experimental solubility data. The effect of the cooling rate, stirring rate, temperature and the concentration of ethanol + water on the MSZW was studied. It was found that the MSZW of DNTF increased with the increasing cooling rate, decreasing temperature, decreasing stirring rate and decreasing ratio of water. And the apparent nucleation order of DNTF in ethanol + water was calculated by the relationship between the cooling rate and the MSZW.展开更多
bis(azidomethyl) 3,3′ bis(1,2,4 oxadiazole)(Ⅰ) and bis(azidoacetamino) oxazofurazan(Ⅱ) were synthesized. The structures of these two compounds have been identified by IR, 1H NMR, MS and elemental analy...bis(azidomethyl) 3,3′ bis(1,2,4 oxadiazole)(Ⅰ) and bis(azidoacetamino) oxazofurazan(Ⅱ) were synthesized. The structures of these two compounds have been identified by IR, 1H NMR, MS and elemental analysis. Azido groups were introduced into furazan derivatives and energetic materials of high nitrogen content and high enthalpy of formation can be obtained. The densities of compound Ⅰ and Ⅱ are relatively high. Compound Ⅰ is an azide of lower melting point, it is hopeful to be applied as energetic plastic additives.展开更多
Bis(azidoacetamino)furazan (DAZAF) was synthesized and characterized by elemental analysis, IR, 1H NMR and MS as an energetic compound. The crystal structure of the title compound was determined by single-crystal X-ra...Bis(azidoacetamino)furazan (DAZAF) was synthesized and characterized by elemental analysis, IR, 1H NMR and MS as an energetic compound. The crystal structure of the title compound was determined by single-crystal X-ray diffraction with the following data: C6H6N10O3, monoclinic, P21/n, Z = 4, a = 8.402(3), b = 15.146(3), c = 9.247(3) ? ?= 111.09(2)? V = 1098.0(6) 3, Mr = 266.18, Dc = 1.610 g/cm3, F(000) = 544, ?=1.34 cm-1, R = 0.037 and wR = 0.044 for 2136 observed reflections (I > 2(I)). Intra- and inter-molecular hydrogen bonds were identified between the O and H atoms of two intramolecular acetylamino groups and two intermolecular acetylamino groups, respectively.展开更多
Methyl 12-bromo-13,14-furoxan-deisopropyldehydroabietate, C18H22BrN2O4, has been synthesized and characterized by IR,^1H NMR, ^13C NMR and single-crystal X-ray diffraction method. It crystallizes in orthorhombic, spac...Methyl 12-bromo-13,14-furoxan-deisopropyldehydroabietate, C18H22BrN2O4, has been synthesized and characterized by IR,^1H NMR, ^13C NMR and single-crystal X-ray diffraction method. It crystallizes in orthorhombic, space group P212121 with a = 6.652（2）, b = 12.832（4）, c = 20.483（6）°A, V = 1748.5（9） °A^3, Z = 4, Mr = 410.29, D, = 1.559 g/cm^3, λ= 0.71070°A, μ（MoKα） = 2.377 mm^-1, F（000） = 844, the final R = 0.0243 and wR = 0.0533 for 3780 observed reflections with I〉 2σ（I）. The C-H and bromine atom are involved in intermolecular hydrogen bonds which link the molecules into a one-dimensional chain.展开更多
An energetic salt of bis（l,5-diamino-lH-tetrazolium）3,3＂-bis（nitramino）-4, 4x-azo- furazan （C6H10N2206） was synthesized with the total yield of 61.7% by using 3,4-diaminofurazan （DAF） as the starting material...An energetic salt of bis（l,5-diamino-lH-tetrazolium）3,3＂-bis（nitramino）-4, 4x-azo- furazan （C6H10N2206） was synthesized with the total yield of 61.7% by using 3,4-diaminofurazan （DAF） as the starting material. The structure of the title compound was confirmed by NMR, IR, elemental analysis and single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group P21/c with a = 10.739（2）, b = 6.4765（12）, c = 14.138（3） A, fl= 108.787（3）°, V= 930.9（3） A3, Z = 1, Mr= 486.36, Dc = 1.735 g.cm3, μ= 0.15 mm-1, F（000） = 496, R = 0.042 and wR = 0.121. The thermal stability was analyzed by subsequently differential scanning calorimetry （DSC）. And the enthalpy of formation and detonation was calculated theoretically, showing the first decomposition temperature was 142.1℃, the enthalpy of formation was 1614.23 kJ.mol1 and the detonation velocity and detonation pressure were 8.781 km.s-1 and 30.7 GPa, respectively.展开更多
An acylation method of 3,4-diaminofurazan was developed. Under the catalysts of p-Tolu- enesulfonic acid, 3-amino-4-formylaminofurazan, 3-amino-4-acetylaminofurazan, 3-amino-4-propio- nylaminofurazan, 3-amino-4-butylr...An acylation method of 3,4-diaminofurazan was developed. Under the catalysts of p-Tolu- enesulfonic acid, 3-amino-4-formylaminofurazan, 3-amino-4-acetylaminofurazan, 3-amino-4-propio- nylaminofurazan, 3-amino-4-butylramino-furazan and 3-amino-4-benzoylaminofurazan were synthe- sized by acylation of 3,4-diaminofurazan with formic acid, acetic acid, propionic acid, butyric acid and benzoic acid respectively. Also, 3,4-diacetylaminofurazan and 3,4-dipropionylaminofurazan were synthesized by acylation of 3,4-diaminofurazan with acetic anhydride and propionic anhydride re- spectively. Compared with the traditional method which uses acyl halogen as reagent, our method reduced the reaction time and increased the yield and purify. The 3-amino-4-acylaminofurazan could be hydrolyzed to 3,4-diaminofurazan in ethanol with acid catalyst.展开更多
Some nitro-substituted triazole-furazan derivatives are considered as potential candidates for high energy density compounds through quantum chemical treatment. Their geometric and electronic structures,band gap,therm...Some nitro-substituted triazole-furazan derivatives are considered as potential candidates for high energy density compounds through quantum chemical treatment. Their geometric and electronic structures,band gap,thermodynamic properties and detonation properties were studied using the density functional theory at the B3 LYP /6- 311 ＋ G＊＊level. The calculated energy of explosion,density,and detonation properties of model compounds were comparable to 1,3,5-trinitro-1,3,5-triazinane（ RDX） and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane（ HMX）. The heats of formation and bond dissociation energy were also analysed to understand the nature of thermal stabilities and the trigger bond in the pyrolysis process.展开更多
文摘The solubility and supersolubility of 3,4-bis(3-nitrofurazan-4-yl)furoxan(DNTF) in ethanol + water at different operation were determined by laser monitoring system under atmospheric pressure to study the metastable zone width(MSZW). The modified Apelblat equation was adopted to correlate the experimental solubility data, and the correlation result showed perfect consistent with the experimental data. The standard dissolution enthalpy, standard dissolution entropy and Gibbs energy were calculated according to the experimental solubility data. The effect of the cooling rate, stirring rate, temperature and the concentration of ethanol + water on the MSZW was studied. It was found that the MSZW of DNTF increased with the increasing cooling rate, decreasing temperature, decreasing stirring rate and decreasing ratio of water. And the apparent nucleation order of DNTF in ethanol + water was calculated by the relationship between the cooling rate and the MSZW.
文摘bis(azidomethyl) 3,3′ bis(1,2,4 oxadiazole)(Ⅰ) and bis(azidoacetamino) oxazofurazan(Ⅱ) were synthesized. The structures of these two compounds have been identified by IR, 1H NMR, MS and elemental analysis. Azido groups were introduced into furazan derivatives and energetic materials of high nitrogen content and high enthalpy of formation can be obtained. The densities of compound Ⅰ and Ⅱ are relatively high. Compound Ⅰ is an azide of lower melting point, it is hopeful to be applied as energetic plastic additives.
文摘Bis(azidoacetamino)furazan (DAZAF) was synthesized and characterized by elemental analysis, IR, 1H NMR and MS as an energetic compound. The crystal structure of the title compound was determined by single-crystal X-ray diffraction with the following data: C6H6N10O3, monoclinic, P21/n, Z = 4, a = 8.402(3), b = 15.146(3), c = 9.247(3) ? ?= 111.09(2)? V = 1098.0(6) 3, Mr = 266.18, Dc = 1.610 g/cm3, F(000) = 544, ?=1.34 cm-1, R = 0.037 and wR = 0.044 for 2136 observed reflections (I > 2(I)). Intra- and inter-molecular hydrogen bonds were identified between the O and H atoms of two intramolecular acetylamino groups and two intermolecular acetylamino groups, respectively.
基金This work was financially supported by the National Natural Science Foundation of China (No. 20362002), the 100 Young and Middle-aged Disciplinary Leaders in Guangxi Higher Education Institutions and the Science Foundation for Youth of Guangxi Province (No. 0575046)
文摘Methyl 12-bromo-13,14-furoxan-deisopropyldehydroabietate, C18H22BrN2O4, has been synthesized and characterized by IR,^1H NMR, ^13C NMR and single-crystal X-ray diffraction method. It crystallizes in orthorhombic, space group P212121 with a = 6.652（2）, b = 12.832（4）, c = 20.483（6）°A, V = 1748.5（9） °A^3, Z = 4, Mr = 410.29, D, = 1.559 g/cm^3, λ= 0.71070°A, μ（MoKα） = 2.377 mm^-1, F（000） = 844, the final R = 0.0243 and wR = 0.0533 for 3780 observed reflections with I〉 2σ（I）. The C-H and bromine atom are involved in intermolecular hydrogen bonds which link the molecules into a one-dimensional chain.
文摘An energetic salt of bis（l,5-diamino-lH-tetrazolium）3,3＂-bis（nitramino）-4, 4x-azo- furazan （C6H10N2206） was synthesized with the total yield of 61.7% by using 3,4-diaminofurazan （DAF） as the starting material. The structure of the title compound was confirmed by NMR, IR, elemental analysis and single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group P21/c with a = 10.739（2）, b = 6.4765（12）, c = 14.138（3） A, fl= 108.787（3）°, V= 930.9（3） A3, Z = 1, Mr= 486.36, Dc = 1.735 g.cm3, μ= 0.15 mm-1, F（000） = 496, R = 0.042 and wR = 0.121. The thermal stability was analyzed by subsequently differential scanning calorimetry （DSC）. And the enthalpy of formation and detonation was calculated theoretically, showing the first decomposition temperature was 142.1℃, the enthalpy of formation was 1614.23 kJ.mol1 and the detonation velocity and detonation pressure were 8.781 km.s-1 and 30.7 GPa, respectively.
文摘An acylation method of 3,4-diaminofurazan was developed. Under the catalysts of p-Tolu- enesulfonic acid, 3-amino-4-formylaminofurazan, 3-amino-4-acetylaminofurazan, 3-amino-4-propio- nylaminofurazan, 3-amino-4-butylramino-furazan and 3-amino-4-benzoylaminofurazan were synthe- sized by acylation of 3,4-diaminofurazan with formic acid, acetic acid, propionic acid, butyric acid and benzoic acid respectively. Also, 3,4-diacetylaminofurazan and 3,4-dipropionylaminofurazan were synthesized by acylation of 3,4-diaminofurazan with acetic anhydride and propionic anhydride re- spectively. Compared with the traditional method which uses acyl halogen as reagent, our method reduced the reaction time and increased the yield and purify. The 3-amino-4-acylaminofurazan could be hydrolyzed to 3,4-diaminofurazan in ethanol with acid catalyst.
文摘Some nitro-substituted triazole-furazan derivatives are considered as potential candidates for high energy density compounds through quantum chemical treatment. Their geometric and electronic structures,band gap,thermodynamic properties and detonation properties were studied using the density functional theory at the B3 LYP /6- 311 ＋ G＊＊level. The calculated energy of explosion,density,and detonation properties of model compounds were comparable to 1,3,5-trinitro-1,3,5-triazinane（ RDX） and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane（ HMX）. The heats of formation and bond dissociation energy were also analysed to understand the nature of thermal stabilities and the trigger bond in the pyrolysis process.
