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二硝基甲烷钾盐的晶体结构与热行为（英）
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作者单位:

(1. 西北大学化工学院, 陕西 西安 710069; 2. 西安近代化学研究所, 陕西 西安 710065)

作者简介:

SUN Qian(1989-), female, doctor-postgraduate, research fields: energetic materials. e-mail: 1156633197@qq.com Corresponding Author: XU Kang-zhen (1976-), male, professor, research fields: synthesis and properties of new energetic materials. e-mail: xukz@nwu.edu.cn

通讯作者:

XU Kang-zhen (1976-), male, professor, research fields: synthesis and properties of new energetic materials. e-mail: xukz@nwu.edu.cn

基金项目:

Supported by the National Natural Science Foundation of China (21241003). Biography: SUN Qian(1989-), female, doctor-postgraduate, research fields: energetic materials. e-mail: 1156633197@qq.com


Crystal Structure and Thermal Behavior of Potassium Dinitromethane
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(1. School of Chemical Engineering, Northwest University, Xi′an 710069, China; 2. Xi′an Modern Chemistry Research Institute, Xi′an 710065, China)

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    摘要:

    合成了二硝基甲烷钾盐{K[CH(NO2)2]}n并得到了其单晶。该晶体属于三斜晶系, P-1空间群, 晶胞参数：a=4.5285(11)Å, b=7.0377(17)Å, c=7.8543(19)Å, α=70.671(3)°, β=88.557(3)°, γ=75.818(4)°, V＝228.58(10)Å3, Z＝2, Dc＝2.094 g·cm-3, F(000) ＝144, S=1.060, μ(Mo Kα)=1.077 mm-1, R1＝0.0457, wR2 ＝0.1399, (Δp)max＝0.484 e·Å-3和(Δp)min＝-1.278 e·Å-3。用DSC和TG-DTG方法研究了{K[CH(NO2)2]}n的热分解行为, 呈现出两个放热过程。{K[CH(NO2)2]}n的自加速分解温度和临界爆炸温度分别是161.0 ℃和162.8 ℃。{K[CH(NO2)2]}n的热稳定性比K(DNDZ)和K(AHDNE)低, 比K(NNMPA)的热稳定性高。{K[CH(NO2)2]}n相对不敏感。

    Abstract:

    Potassium dinitromethane {K[CH(NO2)2]}n was synthesized. The single-crystal structure of {K[CH(NO2)2]}n was determined, which is triclinic, space group P-1 with crystal parameters of a=4.5285(11)Å, b=7.0377(17)Å, c=7.8543(19)Å, α=70.671(3)°, β= 88.557(3)°, γ=75.818(4)°, V=228.58(10)Å3, Z=2, Dc =2.094 g·cm-3, F(000)=144, S=1.060, μ (Mo Kα)=1.077 mm-1, R1=0.0457, wR2=0.1399, (Δp)max=0.484 e·Å-3 and (Δp)min=-1.278 e·Å-3. Thermal behavior of {K[CH(NO2)2]}n was studied by DSC and TG-DTG methods. DSC result presented two exothermic processes. The self-accelerating decomposition temperature and critical temperature of thermal explosion of {K[CH(NO2)2]}n are 161.0 ℃ and 162.8 ℃, respectively. {K[CH(NO2)2]}n presents lower thermal stability than K(DNDZ) and K(AHDNE), but higher thermal stability than K(NNMPA). {K[CH(NO2)2]}n is relatively insensitive.

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引用本文

孙倩,王晓晖,徐抗震,等.二硝基甲烷钾盐的晶体结构与热行为（英）[J].含能材料, 2016, 24(9):874-879. DOI:10.11943/j. issn.1006-9941.2016.09.010.
SUN Qian, WANG Xiao-hui, XU Kang-zhen, et al. Crystal Structure and Thermal Behavior of Potassium Dinitromethane[J]. Chinese Journal of Energetic Materials, 2016, 24(9):874-879. DOI:10.11943/j. issn.1006-9941.2016.09.010.

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历史
  • 收稿日期: 2015-09-11
  • 最后修改日期: 2015-10-19
  • 录用日期: 2015-10-15
  • 在线发布日期: 2016-09-19
  • 出版日期: 2016-10-10

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