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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。
The transition of α → β and β → γ transition of 1,1-diamino-2,2-dinitroethene (FOX-7), a high energy insensitive explosive, was studied by temperature-variable infrared spectroscopy. The effects of FOX- 7 Intermolecular hydrogen bonding and molecular structure during phase transition. The temperature of 55 ~ 122 ℃, the frequency of ν-as (NH 2) 2 and ν 10 [NO 2 (ν_s) ] Disappears; ν_ (12) [C-NH_2 (ν)] disappears at 122 ~ 190 ℃, and ν) _ (20) [NO_2 (ω)] changes to a new broad peak. The results of FTIR showed that during the phase transition of FOX-7, the intermolecular hydrogen bonding changed and the molecular structure changed. In addition, the change of hydrogen bond length does not accord with the linear thermal expansion formula in α → β phase transition with the increase of temperature, and the Fermi resonance of ν_ (11), ν_4 [NH_2 (νas) and 2ν_5NH_2 (γ) , The bands of ν_7 [NO_2 (ν_ (as))] and ν_ (10) showed different characteristic frequencies from those of α- and β-FOX-7, indicating that FOX- A transition state.