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首页> 外文期刊>Propellants, Explosives, Pyrotechnics >Acid-Base Interactions in Energetic Materials:I.The Hard and Soft Acids and Bases (HSAB) Principle-Insights to Reactivity and Sensitivity of Energetic Materials
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Acid-Base Interactions in Energetic Materials:I.The Hard and Soft Acids and Bases (HSAB) Principle-Insights to Reactivity and Sensitivity of Energetic Materials

机译：高能材料中的酸碱相互作用：I。硬酸和软酸和碱（HSAB）原理-高能材料的反应性和敏感性的见解

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摘要

The chemistry of energetic materials can be described applying acid-base reaction formalism.Addressing the HSAB concept,the number of electrons transferred,DELTAN,in an acid-base reaction,allows for description and prediction of properties of composite and homogeneous materials.At first DELTAN helps in estimating the rate of reaction of binary systems with either given fuel or oxidizer.Nevertheless DELTAN is only a relative number thus the range of comparability remains narrow.At second DELTAN can be used as a measure for the sensitivity of homogeneous explosives.The increased reactivity of hypothetical fragments to recombine in a reaction such as R_3C~(centre dot) + ~(centre dot)NO_2=R_3C - NO_2 given by DELTAN correlates very well with experimentally determined reduced impact sensitivity of 1,3,5-trinitrobenzene compounds.On the contrary the rising impact sensitivity of metal azides correlates with rising values of DELTAN of M~(n+)/N_3~- reaction because increased reactivity,that is increased electron transfer from the azide anion to the metal cation triggers formation of the azide radical (~(centre dot)N_3).The latter then decomposes rapidly to give dinitrogen.This increased reactivity/sensitivity of metral azides coincides with covalent bonding whereas ionic azides are relatively insensitive.
机译：含能材料的化学性质可以用酸碱反应形式来描述。解决了HSAB概念，酸碱反应中转移的电子数，DELTAN，可以描述和预测复合材料和均质材料的性能。 DELTAN有助于估计二元体系与给定燃料或氧化剂的反应速率，尽管如此，DELTAN只是一个相对数，因此可比性范围仍然狭窄。第二，DELTAN可以用作衡量均质炸药敏感性的方法。假设片段在R_3C〜（中心点）+〜（中心点）NO_2 = R_3C-NO_2等反应中的反应性增加，与DELTAN给出的实验确定的1,3,5-三硝基苯化合物的降低的撞击感度非常相关相反，金属叠氮化物的增加的撞击敏感性与M〜（n +）/ N_3〜-反应的DELTAN的增加值相关，因为反应性增加，即电子从叠氮化物阴离子向金属阳离子的转移增加触发了叠氮化物自由基的形成（〜（中心点）N_3），后者随后迅速分解生成二氮，这增加了三价叠氮化物的反应性/灵敏度，与共价键合，而离子叠氮化物相对不敏感。

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