变温红外光谱法研究FOX-7的相变（英文）  

Investigation of the Phase Transitions of FOX-7 by Temperature-dependent FTIR Spectroscopy

作　　者：张红梨 刘渝[1] 张浩斌[1] 李诗纯[1] 朱春华[1] 徐金江[1] 杨世源[2] 李金山[1] 

机构地区：[1]中国工程物理研究院化工材料研究所,四川绵阳621999 [2]西南科技大学材料科学与工程学院,四川绵阳621010

出　　处：《含能材料》2016年第9期880-885,共6页Chinese Journal of Energetic Materials

基　　金：National Science Foundations of China(11372290,11572295)

摘　　要：采用变温红外光谱法对高能钝感炸药1,1-二氨基-2,2-二硝基乙烯(FOX-7)α→β和β→γ两种晶型转变进行了研究,讨论了FOX-7相变过程中的分子间氢键作用和分子结构。55~122℃,_(ν-11)[NH_2(ν_(as))]和_(ν10)[NO_2(ν_s)]频率移动为20cm^(-1)左右,ν18[C—NO_2(ν)]消失;122~190℃,ν_(12)[C—NH_2(ν)]消失,ν)_(20)[NO_2(ω)]转变为新的宽峰。红外光谱结果表明:在FOX-7相变过程中,分子间氢键作用发生改变,分子结构改变。此外,随着温度的升高,在α→β的相转变中,氢键长度变化不符合线性热膨胀公式,并且ν_(11)、ν_4[NH_2(νas)与2ν_5NH_2(γ)的费米共振]、ν_7[NO_2(ν_(as))]和ν_(10)等谱带表现出与α-和β-FOX-7均不同的特征频率,表明FOX-7在α→β相变过程中要经历一种过渡态。Two kinds of phase transitions （α→βand β→γ） of the insensitive high explosive, 1 ,1 -diamino-2,2-dinitroethylene（ FOX-7）, have been investigated by temperature-dependent Fourier transform infrared（FTIR） spectroscopy, and the effects of intermolecular H-bonding interactions and molecular structure in the phase transitions of FOX-7 were discussed. The frequency of v11 [ NH2 （vas） ] and v10 [ NO2 （vs） ] shifts about 20 cm^-1 , together with the loss of v18 [ C-NO2 （v） ] in the range of 55 ℃ to 122 ℃, while v12 [ C-NH2 （v） ] disappears and v20 [ NO2 （ω） ] transforms to another broad peaks in the range of 122 ℃ to 190 ℃. The analytical results of the IR spectra indicate that intermolecular hydrogen bonding interactions change in the phase transitions of the FOX-7, which cause the changes of the molecular structure. Moreover, in the process of α→β transition, the changes of H-bonding length with increasing temperature are not consistent with the linear thermal expansion formula, and v11,v4 [ Fermi resonance between the NH2（vas） and the overtone mode of the NH2scissor （2vs ） ] ,v7 and v10 E NO2（vas） ] show special frequencies, which are different from those of α and β-FOX-7. The results confirm the transition state in the α→β transition.

关 键 词：相变 1 1-二氨基-2 2-二硝基乙烯(FOX-7) 变温红外光谱 分子结构 氢键 

分 类 号：TQ560.1[化学工程—炸药化工] O657.33[理学—分析化学]