含能材料2017，Vol.25Issue(7)：579-584,6.DOI:10.11943/j.issn.1006-9941.2017.07.008
N,N′-二(氟偕二硝基乙基)-3,4-二氨基呋咱(LLM-208)的晶体结构及热性质
Crystal Structure and Thermal Properties of N,N′-Bis(2-fluoro-2,2′-dinitroethyl)-3,4-diaminofurazan
摘要
Abstract
The single crystal of N,N′-bis(2-fluoro-2,2′-dinitroethyl)-3,4-diaminofurazan (LLM-208) was cultivated by solvent evaporation using anhydrous methanol as solvent at the temperature of 10-15 ℃.Its crystal structure was determined by a X-ray single-crystal diffractometer.Results show that the crystal density of LLM-208 is 1.895 g·cm-3 at 130 K and 1.848 g·cm-3 at 298 K,which belongs to monoclinic system,space group C2,a=19.225(5) (A),b=5.5779(15) (A),c=6.4176(17) (A),β=108.551(5)°,V=909.4(6)(A)3,Z=2,μ=0.192 mm-1,F(000)=376.Hirshfeld-surface analysis suggests that the dominant contacts and distributions of LLM-208 crystal are shown as follows (R represents ratio): RO…H/H…O=35.0%,RO…O=22.3%,RF…O/C…F/ F…F=12.5%.The activation energies calculated by using Kissinger,Flynn-Wall-Ozawa and Starink methods are 112.28,114.49,112.49 kJ·mol-1,respectively.The pre-exponential factor by Kissinger method is 1021.30 s-1.关键词
含能材料/N,N′-二(氟偕二硝基乙基)-3,4-二氨基呋咱(LLM-208)/晶体结构/热性质Key words
energetic materials/N,N′-bis(2-fluoro-2,2′-dinitroethyl)-3,4-diaminofurazan(LLM-208)/crystal structure/thermal properties分类
军事科技引用本文复制引用
马卿,卢欢唱,廖龙渝,黄靖伦,范桂娟,刘永刚..N,N′-二(氟偕二硝基乙基)-3,4-二氨基呋咱(LLM-208)的晶体结构及热性质[J].含能材料,2017,25(7):579-584,6.基金项目
中国工程物理研究院科学技术发展基金项目(2015B0302055) （2015B0302055）
国家自然科学基金青年基金项目(11402237)和国家自然科学基金-中国工程物理研究院联合基金重点项目(U1530262) （11402237）
