物理化学学报 >> 2001, Vol. 17 >> Issue (05): 438-442.doi: 10.3866/PKU.WHXB20010512

研究论文 上一篇    下一篇

AGNTO的制备和分子结构

杨利;张同来;冯长根;郁开北   

  1. 北京理工大学机电工程学院,北京 100081;中国科学院成都分院分析测试中心,成都 640041
  • 收稿日期:2000-11-06 修回日期:2001-01-15 发布日期:2001-05-15
  • 通讯作者: 张同来 E-mail:ztlbit@public.bta.net.cn

Preparation and Molecular Structure of AGNTO

Yang Li;Zhang Tong-Lai;Feng Chang-Gen;Yu Kai-Bei   

  1. Department of Mechanoelectric Engineering, Beijing Institute of Technology, Beijing 100081;Chengdu Branch, Chinese Science Academy, Chengdu 640041
  • Received:2000-11-06 Revised:2001-01-15 Published:2001-05-15
  • Contact: Zhang Tong-Lai E-mail:ztlbit@public.bta.net.cn

摘要: 通过3-硝基-1,2,4-三唑-5-酮(NTO)与氨基胍重碳酸盐反应制备NTO氨基胍盐,并用X射线衍射、元素分析、红外光谱对其进行了表征.晶体属于单斜晶系,空间群为P21/n.晶体学参数为:a=0.67870(10)nm, b=2.7915(4)nm, c=1.2739(2)nm; β =96.930(10) V=2.3959(6)nm3, Z=12, Dc=1.698 g•cm -3, μ( Mo K )=1.47 cm -1, F(000)=1272.晶体结构经全矩阵最小二乘法修正,最终偏离因子R=0.0352, wR =0.0718.该盐是一种具有广泛应用前景的产气剂材料.

关键词: 3-硝基-1,2,4-三唑-5-酮(NTO), 氨基胍重碳酸盐, 分子结构, NTO氨基胍(AGNTO)

Abstract: AGNTO was prepared by mixing aminocarbamidine bicarbonate and 3nitro1,2,4triazol5one. The product was characterized by element analysis and IR measurement. The crystal structure of AGNTO was determined by single crystal diffraction analysis. The crystal belongs to monoclinic space group P21/n. Crystallographic data are:a=0.67870(10)nm, b=2.7915(4)nm, c=1.2739(2)nm; β=96.930(10) V=2.3959(6)nm3, Z=12, Dc=1.698 g•cm-3, μ(Mo K )=1.47 cm-1, F(000)=1272, R=0.0352, wR=0.0718. This salt would be a very promising energetic material, and it might be used as new gas generate agent.

Key words: 3-nitro-1,2,4-triazol-5-one(NTO), Amino-carbamidine bicarbonate,  Molecular structure, Amino-carbamidine 3-nitro-1,2,4-triazol-5-one(AGNTO)