How to know compound is explosive?

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Discussion Overview

The discussion revolves around identifying whether a chemical compound is explosive prior to its synthesis. Participants explore various indicators and theoretical considerations that may suggest a compound's reactivity or explosive potential, touching on aspects of chemistry such as redox reactions, thermodynamics, and molecular structure.

Discussion Character

  • Exploratory
  • Technical explanation
  • Conceptual clarification

Main Points Raised

  • Some participants suggest evaluating the presence of a redox couple in the molecule, particularly looking for atoms in high oxidation states alongside those in lower states.
  • It is proposed that organic perchlorate salts may be likely candidates for explosive behavior.
  • Discussion includes the importance of the products of combustion or redox processes, noting that a high number of gaseous products can contribute to the Gibbs free energy of the reaction.
  • One participant mentions azide decomposition as an example of a compound that can explosively decompose, such as those used in airbag deployment.
  • Another point raised is the presence of both fuel and oxidant within the same molecular structure, with TNT cited as a specific example.
  • Unusually strained molecules are noted for their potential to release strain energy during explosive events, although this energy may not be sufficient on its own to cause an explosion.
  • It is suggested that energetic events that do not rely heavily on diffusion may lead to explosions, such as exothermic ring-opening reactions or pressure-induced decompositions.
  • One participant emphasizes the need for knowledge of thermodynamics and reaction rates, indicating that an explosion is an exothermic reaction occurring rapidly.
  • There is a mention of the necessity to examine literature on similar compounds to predict the behavior of newly synthesized compounds.

Areas of Agreement / Disagreement

Participants express a range of views on the indicators of explosiveness, with no consensus reached on a definitive method for determining whether a compound is explosive prior to its synthesis. Multiple competing ideas and approaches are presented.

Contextual Notes

The discussion highlights the complexity of predicting explosive behavior, with various assumptions about molecular structure, reaction conditions, and thermodynamic principles being acknowledged but not resolved.

Gadget_Wizard
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how would you know a compound is explosive
 
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You mean other than the obvious?
 
i mean like before you make a compound, how will you know that it would be reactive of explosive, sorry, worded it wrong.
 
You can start by evaluating whether a redox couple exists in the molecule. Look for atoms in an unusually high oxidation state together with atoms that are in their normal or low oxidation state. Organic perchlorate salts would be likely candidates. Look at likely products of a combustion or redox process. If many moles of gaseous products are produced per mole of explosive, this adds to the gibbs free energy of the event (entropy). Azide decomposition (air bag deployment compounds) is an example of this.

Look for fuel and oxidant in the same structure. TNT is an example as are most of the organic nitro compounds. In TNT, 7 carbons are in their normal oxidation state with three nitrogens (from nitro) in a +5 oxidation state. 6 Oxygens are available to react with the carbons.

Unusually strained molecules can release the strain energy in an explosive event. This energy is not usually enough to supply the entire explosive energy but does add some energy to the energy of an otherwise high energy species.

Look for an energetic event that does not depend too strongly on diffusion. An exothermic ring opening event or the pressure/heat induced decomposition of part structures to yield high energy intermediates (like in TNT) will cause something to explode.

If you are planning to make some compound and you are worried that it could explosively decompose, examine the literature for compounds that have similar structures. It is likely that the similar compound will behave similarly.
 
This is a very complex question, in short you'd need to know some thermodynamics. You'd need to know the rate of reaction (after all, an explosion is basically just an exothermic reaction that is reacting very quickly) energy of reaction would be nice... there's a lot you'd need to know/calculate to answer that sort of question.

Like Chemistree said, anything with a lot of stored chemical energy (a fuel) and an oxidizer will typically cause an "explosion" when it reacts.
 

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