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A Relationship between Impact Sensitivity and Molecular Electronegativity
Author(s) -
Mullay J.
Publication year - 1987
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.19870120206
Subject(s) - electronegativity , explosive material , sensitivity (control systems) , molecule , moiety , chemistry , work (physics) , oxygen atom , computational chemistry , chemical physics , stereochemistry , physics , organic chemistry , thermodynamics , engineering , electronic engineering
It is shown that statistically significant relationships exist between impact sensitivity and molecular electronegativity for several classes of organic high explosives. These include polynitroaromatic and polynitroaliphatic molecules. The correlations closely follow previous results which utilize the idea of “trigger linkages” (C–NO 2 , N–NO 2 or O–NO 2 ) and oxygen balance. However, the present work provides the possibility of establishing a closer relation between impact sensitivity and electronic structure for the molecules studied. It can also be used to clarify the relationship between the results of previous efforts with these molecules and similar work with other explosives. Through a closer analysis of these correlations it is also shown that the presence of a CO 2 moiety in the molecules affects the impact sensitivity.