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5,5’-偶氮四唑-5-氮氧化物钠五水合物的晶体结构及相关理论研究
引用本文:林秋汉,李玉川,汪竹,于红霞,庞思平.5,5’-偶氮四唑-5-氮氧化物钠五水合物的晶体结构及相关理论研究[J].北京理工大学学报,2014,34(2):211-215,220.
作者姓名:林秋汉  李玉川  汪竹  于红霞  庞思平
作者单位:1.北京理工大学材料学院, 北京 100081
摘    要:化合物5,5’-偶氮四唑钠(2)在稀盐酸中分解得到5-肼基四唑盐酸盐(3),5-肼基四唑盐酸盐与氢氧化钠中和后除去产物中的NaCl,在甲醇中重结晶得到5,5’-偶氮四唑-5-氮氧化物钠五水合物(4),采用MS,元素分析等对这些化合物进行表征. 用X射线单晶衍射法测定获得了化合物 3 和4的晶体数据. 化合物3属于单斜晶系,P2(1)/n空间群,其晶胞参数a=0.438(2)nm,b=2.395 6(2)nm,c=0.493 6(2)nm,Z=4,V=0.546(4)nm3,Dc=1.659 g/cm3,F(000)=280;化合物 4属于三单斜晶系,P-1空间群,其晶胞参数a=0.715 81(19) nm,b=0.766 3(2)nm,c=1.193 3(4) nm,Z=2,V=0.602 7(3) nm3,Dc=1.742 g/cm3,F(000)=324. 

关 键 词:偶氮四唑    氮氧化    晶体结构    含能离子盐
收稿时间:1/4/2013 12:00:00 AM

Synthesis,Crystal Structrue and Relevant Theoretical Study of 5,5’-Azotetrazole-5-Oxide Pentahydrate
LIN Qiu-han,LI Yu-chuan,WANG Zhu,YU Hong-xia and PANG Si-ping.Synthesis,Crystal Structrue and Relevant Theoretical Study of 5,5’-Azotetrazole-5-Oxide Pentahydrate[J].Journal of Beijing Institute of Technology(Natural Science Edition),2014,34(2):211-215,220.
Authors:LIN Qiu-han  LI Yu-chuan  WANG Zhu  YU Hong-xia and PANG Si-ping
Affiliation:1.School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China2.Tianjin Caosino Biotechnology Inc, Tianjin 300457, China
Abstract:5,5'-azotetrazole(2) was dissolved in distilled water reacted with an excess of diluted hydrochloric acid to produce 5-hydrazinotetrazolium chloride(3). 3 neutralized with sodium hydroxide to produce sodium 5,5'-Azotetrazole-5-Oxide pentahydrate(4). The structures of 3 and 4 were characterized by MS, 1H NMR and 13C NMR techniques, and the crystal structures of 3 and 4 were determined by X-ray single crystal diffraction analysis, 3 belongs to Monoclinic system with space group P2(1)/n and a=0.438(2) nm, b=2.395 6(2) nm, c=0.493 6(2) nm, Z=4, V=0.546(4) nm3, Dc=1.659 g/cm3,F(000)=280; 4 belong to Triclinic system with space group P-1 and a=0.715 81(19) nm,b=0.766 3(2)nm,c=1.193 3(4) nm,Z=2,V=0.602 7(3)nm3,Dc=1.742 g/cm3,F(000)=324.
Keywords:azotetrazole  oxide  crystal structure  energetic salts
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