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| 1 | Preparation,crystal structure and quantum chemical investigation of[Li(NTO) (H_2O)_2]显示文摘[Li(NTO)(H2O2]was prepared by mixing the aqueous solution of 3-nitro-1,2,4-triazol-5-one (NTO) and lithium hydroxide. The crystal structure of [Li(NTO)(H2O)2] was determined by single crystal diffraction analysis. The crystal is monoclinic, space group P21/n with crystal parameters of α =0.7420(2) nm, b=0.344 9(1) nm, c=2.490 6(3) nm,β=94.89(1)°, Z=4, Dc=1.799 g.cm-3, V=0.635 nm3,μ= 1.591 cm-1, F(000) = 392. The final R is 0.051. The MNDO MO calculation shows that the coordinate bonds of title compound possess certain extent of covalent character. O2 atom of NTO anion is bonded to Li atom; the nitro group will be lost first when NTO is decomposed. | SONG Jirong , CHEN Zhaoxu , XIAO Heming , HU Rongzu and LI Fuping Department of Chemical Engineering, Northwest University, Xi’ an 710069, China Department of Chemistry, Nanjing University of Science and Technology, Nanjing 210094, China Xi’an Modern Chemistry Research Institute, Xi’ an 710065, China | 1999 | Chinese Science Bulletin1999，44，3： | 5 |
| 2 | Thermochemical properties and thermokinetic behavior of energetic triazole ionic salts显示文摘The properties of dissolution in different solvents,the specific heat capacity and thermal decomposition process under the non-isothermal conditions for energetic triazole ionic salts 1,2,4-triazolium nitrate(1a),1,2,3-triazolium nitrate(1b),3,4,5triamino-1,2,4-triazolium nitrate(2a),3,4,5-triamino-1,2,4-triazolium dinitramide(2b)were precisely measured using a Calvet Microcalorimeter.The thermochemical equation,differential enthalpies of dissolution(△difH m ),standard molar enthalpies of dissolution(△difH m ),apparent activation energy(E),pre-exponential constant(A),kinetic equation,linear relationship of specific heat capacity with temperature over the temperature range from 283 to 353 K,standard molar heat capacity(C p,m)and enthalpy,entropy and Gibbs free energy at 283–353 K,taking 298.15 K as the benchmark for 1a,1b,2a and 2b were obtained with treating experimental data and theoretical calculation method.The kinetic and thermodynamic parameters of thermal decomposition reaction,critical temperature of thermal explosion(Tb),self-accelerating decomposition temperature(TSADT)and adiabatic time-to-explosion(t)of 1a,1b,2a and 2b were calculated.Their heat-resistance abilities were evaluated.Information was obtained on the relation between molecular structures and properties of 1a,1b,2a and 2b. | ZHAO FengQi XUE Liang XING XiaoLing HU RongZu ZHOU ZhiMing GAO HongXu YI JianHua XU SiYu PEI Qing | 2011 | Science China Chemistry2011，54，3： | 4 |
| 3 | Kinetics and mechanism of the exothermic first-stage decomposition reaction dinitroglycoluril显示文摘 | ZHAO Fengqi HU Rongzu CHEN Pei | 2004 | Chinese Journal of Chemistry2004，，22： | 1 |
| 4 | Heavy cycles in k-connected weighted graphs显示文摘 | Zhang Shenggui Chen Bing Yu Rongzu | 2004 | Electronic Notes in Discrete Mathematics2004，17，： | 1 |
| 5 | Thermal decomposition mechanism,thermodynamical and quantum chemical of properties[Pb(NTO) (2) (H2O)]显示文摘 | JIRONG S ZHAXOU C RONGZU H | | 0，，02： | 1 |
| 6 | 查看详情显示文摘 | Hu Rongzu Yang Zhengquan Liang Yanjun | | 0，，： | 1 |
| 7 | 查看详情显示文摘 | Zhang Tonglai Hu Rongzu Li Fuping | | 0，，： | 1 |
| 8 | Estimationof the critical rate of temperature rise for thermal explo-sion of autocatalytic decomposing reaction of nitrocellu-lose using non-isothermal DSC 显示文摘 | Ning Binke Hu Rongzu Zhang Hai | 2003 | Thermochim Acta2003，416，1： | 1 |
| 9 | The hydrolytic stability of some cyclourea compounds显示文摘 | Hu Rongzu Liang Yanjun Fang Yingao Wang Jinsheng Xie Yi | 1996 | Journal of Thermal Analysis1996，，5： | 1 |
| 10 | A new method to estimate kinetic parameters from a single non-isothermal DSC curve显示文摘 | YANG Zhangquan HU Rongzu XIE Yi | 1992 | Thermochim Acta1992，195，： | 1 |
| 11 | Thermal behavior of 1,3,3-trinitroazetidine显示文摘 | Zhang Guofang Fan Xuezhong Hu Rongzu | 2006 | Journal of Analytical and Applied Pyrolysis2006，76，： | 1 |
| 12 | Thermal decomposition of 4-nitroimidazole catalyzed by Pb(NO3)2显示文摘 | Li Jizhen Fan Xuezhong Hu Rongzu | 2008 | Chinese Journal of Chemistry2008，26，1： | 1 |
| 13 | Thermal behavior of copper(ll) 4-nitroimidazolate显示文摘 | Li Jizhen Fan Xuezhong Hu Rongzu | 2009 | Journal of Thermal Analysis and Calorimetry2009，96，1： | 1 |
| 14 | The deter- mination of the most probable mechanism function and three kinetic parameters of exothermic decomposition reaction of energetic materials by a 显示文摘 | H u Rongzu Yang Zhengguan Liang Yanjun | 1988 | Thermochim Acta1988，123，： | 1 |
| 15 | Synthesis and Thermal Properties of Three Energetic Ion Salts of 3,6-Bis[(1H-1,2,3,4-tetrazol-5-yl)-amino]- 1,2,4,5-tetr azine显示文摘Three energetic ion salts of 3,6-bis[(1H-1,2,3,4-tetrazol-5-yl)-amino]-1,2,4,5-tetrazine(BTATz), namely, methylamine salt(compound 1), ethylenediamine salt(compound 2), and diethylamine salt(compound 3), were synthesized and characterized by elemental analysis, Fourier transform infrared spectrometry, NMR spectroscopy, and ^13C NMR spectroscopy. The crystal structure of compound 1 was determined by single-crystal X-ray crystallography, and structural analysis revealed that it belonged to the monoclinic system with P21/c space group. In addition, the thermal behavior of the three compounds was studied by differential scanning calorimetry and thermogravimetry techniques. The thermal decomposition peak temperatures of the compounds were 574.89, 545.60, and 606.72 K, indicating that the three ion salts exhibited good thermal stability. Tlie kinetic mechanism equations of the main decomposition process and the entropy of activation(△S^≠), enthalpy of activation(△H^≠), and Gibbs free energy of activation(△G^≠) of the three compounds were also obtained. Moreover, the thermal safety of the compounds was evaluated by the values of the self^accelerated decomposition temperature(Tsadt)5 thermal ignition temperature(TTIT), and critical temperature of thermal explosion(7b). The results showed that all the compounds demonstrated good thermal safety, and the thermal safety of compound 3 was better than that of the others. | ZHOU Jie WU Shaojie ZHANG Wenhui LIU Qmg YANG Bin REN Yinghui MA Haixia ZHAO Fengqi HU Rongzu | 2019 | Chemical Research in Chinese Universities2019，35，3： | 1 |
| 16 | Synthesis and crystal structure of·6H2O显示文摘 | Song Jirong Dong Wu Hu Rongzu | 1997 | Journal of Rare Earths1997，15，1： | 1 |
| 17 | Thermal behavior, specific heat capacity and adiabatic time-to-explosion of G(FOX-7)显示文摘 | Kangzhen Xu Jirong Song Fengqi Zhao Haixia Ma Hongxu Gao Chunran Chang Yinghui Ren Rongzu Hu | 2008 | Journal of Hazardous Materials2008，，2： | 1 |
| 18 | Thermal behaviour of 3-nitro1,2,4-triazol-5-one and its salts显示文摘 | Yi X Rongzu H Xiayun | 1991 | Thermochimica Acta1991，189，： | 1 |
| 19 | Thermochim Acta显示文摘 | Zhang Tonglai Hu Rongzu Li Fuping | 1994 | 244: 177-1841994，244，： | 1 |
| 20 | The Thermokinetics of the Formation Reaction of Cobalt Histidine Complex显示文摘 | G. Shengli J. Mian C. Sanping H. Rongzu S. Qizhen | 2001 | Journal of Thermal Analysis and Calorimetry2001，，2： | 1 |
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