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{"title":"两种3,6-二硝基环己烷硝酸酯类含能化合物的合成、单晶及热性能","authors":"李祥志, 李辉, 廉鹏, 来蔚鹏, 周诚, 王伯周","doi":"10.11943/J.ISSN.1006-9941.2016.07.007","DOIUrl":null,"url":null,"abstract":"以乙二醛(40%)和硝基甲烷为起始原料,通过缩合成环、硝化两步反应生成了两种硝酸酯类含能化合物1,4-二羟基-2,5-二硝酸酯-3,6-二硝基环己烷(2)和1,2,4,5-四硝酸酯-3,6-二硝基环己烷(3),总收率分别为7.79%和7.s2%,采用红外光谱、核磁共振光谱及元素分析等表征了其结构。培养了化合物2的单晶,对其结构进行了测定,发现化合物2的单晶属于单斜晶体,晶体空间群为P2(1)/n;采用TG.DTG和DSC研究了化合物2和3的热性能,其热分解温度分别为241.1℃和192.0℃;采用密度泛函理论的B3LYP方法对化合物2和3的爆速和爆压进行了预估,分别为9079m·s-1和37.75GPa,9616m·s-1和43.26GPa。","PeriodicalId":35753,"journal":{"name":"Hanneng Cailiao/Chinese Journal of Energetic Materials","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"两种3,6-二硝基环己烷硝酸酯类含能化合物的合成、单晶及热性能\",\"authors\":\"李祥志, 李辉, 廉鹏, 来蔚鹏, 周诚, 王伯周\",\"doi\":\"10.11943/J.ISSN.1006-9941.2016.07.007\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"以乙二醛(40%)和硝基甲烷为起始原料,通过缩合成环、硝化两步反应生成了两种硝酸酯类含能化合物1,4-二羟基-2,5-二硝酸酯-3,6-二硝基环己烷(2)和1,2,4,5-四硝酸酯-3,6-二硝基环己烷(3),总收率分别为7.79%和7.s2%,采用红外光谱、核磁共振光谱及元素分析等表征了其结构。培养了化合物2的单晶,对其结构进行了测定,发现化合物2的单晶属于单斜晶体,晶体空间群为P2(1)/n;采用TG.DTG和DSC研究了化合物2和3的热性能,其热分解温度分别为241.1℃和192.0℃;采用密度泛函理论的B3LYP方法对化合物2和3的爆速和爆压进行了预估,分别为9079m·s-1和37.75GPa,9616m·s-1和43.26GPa。\",\"PeriodicalId\":35753,\"journal\":{\"name\":\"Hanneng Cailiao/Chinese Journal of Energetic Materials\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2016-01-01\",\"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.1006-9941.2016.07.007\",\"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.1006-9941.2016.07.007","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Engineering","Score":null,"Total":0}
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