在1,3,4-氧化中突破氧平衡的极限
Qiong Yu1,2, Ping Yin1, Jiaheng Zhang3
1Department of Chemistry, University of Idaho , Moscow, Idaho 83844-2343, United States.
Journal of the American Chemical Society
|June 20, 2017
概括
研究人员合成了一种具有六个基组的新型五环, 显示出高能量密度和出色的爆炸特性. 这种双功能的化合物是先进的能量材料的有希望的候选者.
科学领域:
- 能量材料科学
- 有机化学
- 富含的不同循环
背景情况:
- 开发高性能能源材料对于各种应用至关重要.
- 引入宝石聚甲基可以提高能量密度和稳定性.
- 1,3,4-氧化支架在能量材料设计中的潜力得到了探索.
研究的目的:
- 合成和描述含有gem-trinitromethyl组的新型双功能化1,3,4-oxadiazole衍生物.
- 评估这些新化合物的能量特性,包括晶体密度,氧气平衡,爆炸性能和灵敏度.
- 探索宝石聚甲基组在设计先进能量材料中的潜力.
主要方法:
- 2,5-bis ((三甲基) -1,3,4-氧化及其二和二盐的合成
- 对晶体密度,爆炸特性 (爆炸速度和压力) 和氧气平衡进行计算.
- 对冲击灵敏度和热稳定性的评估
主要成果:
- 合成了第一个具有六个基组的双功能五个环的例子.
- 2,5-Bis ((三甲基) -1,3,4-氧化具有高的计算晶体密度 (在150K时为2,007gcm−3) 和正氧平衡 (39.12%).
- 与RDX和HMX相比,二氧化和二氧化盐具有优越的计算引爆特性和可接受的冲击灵敏度.
- 该化合物比其二甲基类似物更热稳定,更不敏感.
结论:
- 宝石聚甲基组是设计先进能量材料的可行组成部分.
- 合成的化合物显示出作为高能量密度氧化剂和爆炸物的巨大潜力.
- 为了开发下一代能量材料,需要对宝石聚甲基功能化异环进行进一步的研究.
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