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

被引：28

作者：

Politzer, Peter ^{[1
,2
]}

Lane, Pat ^{[1
]}

Murray, Jane S. ^{[1
,2
]}

机构：

[1] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA

[2] CleveProp, 1951 W 26th St, Cleveland, OH 44113 USA

来源：

CRYSTALS | 2016年 / 6卷 / 01期

关键词：

nitrogen-rich; electrostatic potentials; C; H; N; O molecular and ionic compounds; crystal densities; ENERGETIC MATERIALS; DETONATION PROPERTIES; IMPACT SENSITIVITY; MAXIMUM HEAT; DERIVATIVES; PREDICTIONS; PERFORMANCE; POLARIZABILITIES; EXPLOSIVES; MOLECULES;

D O I：

10.3390/cryst6010007

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

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.

引用

页数：14

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