Journal of Physical Chemistry A, Vol.110, No.28, 9011-9013, 2006
Stability of high-energy N14H42+ ion and the effects of carbon and halogen substitution
Previous studies of oxygen addition into an N-12 cage framework revealed the possibility of stable high-energy density materials (HEDM) resulting from such additions. In the current study, nitrogen addition into N-12 is studied as a means of generating stable HEDM. Nitrogen addition into N-12 is shown to yield an N14H42+ ion, which is examined by theoretical calculations to determine its stability with respect to dissociation. Other variations on this ion are generated by substituting carbon for nitrogen and/or halogens for hydrogen. The cage structures will be compared with respect to stability, and factors that enhance stability will be discussed.