Crystals (Jan 2016)

Electrostatic Potentials, Intralattice Attractive Forces and Crystal Densities of Nitrogen-Rich C,H,N,O Salts

  • Peter Politzer,
  • Pat Lane,
  • Jane S. Murray

DOI
https://doi.org/10.3390/cryst6010007
Journal volume & issue
Vol. 6, no. 1
p. 7

Abstract

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The computed electrostatic potentials on C,H,N,O molecular solids and nitrogen-rich C,H,N,O salts are used in analyzing and comparing intralattice attractive forces and crystal densities in these two categories of compounds. Nitrogen-rich C,H,N,O salts are not an assured path to high densities. To increase the likelihood of high densities, small cations and large anions are suggested. Caution is recommended in predicting benefits of nitrogen-richness for explosive compounds.

Keywords