CHEMISTRY OF ALIPHATIC UNCONJUGATED NITRAMINES .2. INTRAMOLECULAR PROPERTIES AND CRYSTAL PACKING

被引：21

作者：

STALS, J

机构：

[1] Australian Defence Scientific Service, Department of Supply, Defence Standards Laboratories, Ascot Vale, VIC, 3032

来源：

AUSTRALIAN JOURNAL OF CHEMISTRY | 1969年 / 22卷 / 12期

关键词：

D O I：

10.1071/CH9692505

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The VESCF(BJ)-MO electric dipole moments, molecular ionization potentials, electronic bond energies, charge distributions, and bond orders for nitramide, N-methylnitramine, and s- and as-N, N-dimethylnitramines are reported. The packing of nitramide, RDX, and HNX in their molecular crystals is rationalized in terms of electrostatic and hydrogen-bonding interactions. Simple VB structures do not readily predict their calculated MO charge distributions and bond orders. © 1969, CSIRO. All rights reserved.

引用

页码：2505 / &

共 48 条

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