THEORY AND SYNTHESIS OF SILENT EXPLOSIVES

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THEORY AND SYNTHESIS OF SILENT EXPLOSIVES
Student Name and Instructor/Mentor Name CSURF --
Spring 2008
Objectives Predict the structural features of
molecules that could act as silent explosives.
Select several molecules with high predicted
anti-phonon activity for synthesis. Develop
synthetic strategies for the preparation of
silent explosives. Synthesize representative
compounds and test for degree of silence during
detonation.
General Approach Use semi-empirical molecular
orbital methods such as MOOPAC-2000 or ab initio
methods like Grassian 98 to determine if stable
molecules exist where the phonon and anti-phonon
orbitals exactly cancel each other. If results
are positive, propose one or more molecules with
structural features that may yield materials with
high crepitation thresholds. Synthesize
candidate materials and test for degree of
silence during detonation.

• Theory
• Quantum flatulence theory predicts that in
  general molecules with phonon and anti-phonon
  orbitials will destructively cancel all sound
  during the detonation.
• Such molecules have never been made, but would
  have the orbital structure arranged as shown below

Results Predicted Molecules MOOPAC calculations
predicted that 90-degree biphenyl (left) had low
crepitation threshold values, but addition of
SiH3 (silenceane) functional groups (right)
increased crepitation thresholds to much higher
values.
Blue phonon orbital
Red antiphonon orbital
Results Synthesis Testing
Sample poster.ppt