{"title":"变温红外光谱法研究FOX-7的相变(英)","authors":"张红梨, 刘渝, 张浩斌, 李诗纯, 朱春华, 徐金江, 杨世源, 李金山","doi":"10.11943/J.ISSN.1006-9941.2016.09.011","DOIUrl":null,"url":null,"abstract":"Two kinds of phase transitions (α→β and 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 ν11 [NH2 (νas)] and ν10 [NO2 (νs)] shifts about 20 cm-1, together with the loss of ν18 [C—NO2 (ν)] in the range of 55 ℃ to 122 ℃, while ν12 [C—NH2(ν)] disappears and ν20[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 ν11、ν4[Fermi resonance between the NH2 (νas) and the overtone mode of the NH2 scissor (2ν5)]、ν7 and ν10[NO2(νas)] 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.","PeriodicalId":35753,"journal":{"name":"Hanneng Cailiao/Chinese Journal of Energetic Materials","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2016-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"变温红外光谱法研究FOX-7的相变(英)\",\"authors\":\"张红梨, 刘渝, 张浩斌, 李诗纯, 朱春华, 徐金江, 杨世源, 李金山\",\"doi\":\"10.11943/J.ISSN.1006-9941.2016.09.011\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Two kinds of phase transitions (α→β and 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 ν11 [NH2 (νas)] and ν10 [NO2 (νs)] shifts about 20 cm-1, together with the loss of ν18 [C—NO2 (ν)] in the range of 55 ℃ to 122 ℃, while ν12 [C—NH2(ν)] disappears and ν20[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 ν11、ν4[Fermi resonance between the NH2 (νas) and the overtone mode of the NH2 scissor (2ν5)]、ν7 and ν10[NO2(νas)] 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.\",\"PeriodicalId\":35753,\"journal\":{\"name\":\"Hanneng Cailiao/Chinese Journal of Energetic Materials\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2016-09-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Hanneng Cailiao/Chinese Journal of Energetic Materials\",\"FirstCategoryId\":\"1087\",\"ListUrlMain\":\"https://doi.org/10.11943/J.ISSN.1006-9941.2016.09.011\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Engineering\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Hanneng Cailiao/Chinese Journal of Energetic Materials","FirstCategoryId":"1087","ListUrlMain":"https://doi.org/10.11943/J.ISSN.1006-9941.2016.09.011","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Engineering","Score":null,"Total":0}
Two kinds of phase transitions (α→β and 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 ν11 [NH2 (νas)] and ν10 [NO2 (νs)] shifts about 20 cm-1, together with the loss of ν18 [C—NO2 (ν)] in the range of 55 ℃ to 122 ℃, while ν12 [C—NH2(ν)] disappears and ν20[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 ν11、ν4[Fermi resonance between the NH2 (νas) and the overtone mode of the NH2 scissor (2ν5)]、ν7 and ν10[NO2(νas)] 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.
期刊介绍:
Chinese Journal of Energetic Materials is a vital forum for the exchange of science and technology in energetic materials, and information on - Propellants - Explosives - Pyrotechnics - Ignition, combustion and detonation