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

Crystals

Peter Politzer¹  Jane S. Murray¹  Pat Lane¹ 

[1] Department of Chemistry, University of New Orleans, New Orleans, LA 70148, USA;

关键词: nitrogen-rich;    electrostatic potentials;    C,H,N,O molecular and ionic compounds;    crystal densities;   

DOI  :  10.3390/cryst6010007

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown