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Stabilization of Cylindrical N12 and N18 by Phosphorus Substitution.通过磷取代实现圆柱形N12和N18的稳定化。
J Chem Theory Comput. 2005 Jul;1(4):561-5. doi: 10.1021/ct050067i.
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Stability of nitrogen-oxygen cages N12O2, N14O2, N14O3, and N16O4.氮氧笼N12O2、N14O2、N14O3和N16O4的稳定性
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Stability of carbon-nitrogen cages in fourfold symmetry.四重对称中碳氮笼的稳定性。
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High-energy-density materials: synthesis and characterization of N5+[P(N3)6]-, N5+[B(N3)4]-, N5+[HF2]-.n HF, N5+[BF4]-, N5+[PF6]-, and N5+[SO3F]-.高能量密度材料：N5+[P(N3)6]−、N5+[B(N3)4]−、N5+[HF2]−·n HF、N5+[BF4]−、N5+[PF6]−和N5+[SO3F]−的合成与表征
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Single-bonded cubic form of nitrogen.氮的单键立方形式。
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高能N14H4(2+)离子的稳定性以及碳和卤素取代的影响。

Stability of high-energy N14H4(2+) ion and the effects of carbon and halogen substitution.

作者信息

Cottrell Roshawnda, Jones Jacqueline, Gilchrist Ami, Shields Danielle, Strout Douglas L

机构信息

Department of Biological Sciences and Department of Physical Sciences, Alabama State University, Montgomery, Alabama 36101, USA.

出版信息

J Phys Chem A. 2006 Jul 20;110(28):9011-3. doi: 10.1021/jp0620318.

DOI:10.1021/jp0620318
PMID:16836465
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2597225/
Abstract

Previous studies of oxygen addition into an N12 cage framework revealed the possibility of stable high-energy density materials (HEDM) resulting from such additions. In the current study, nitrogen addition into N12 is studied as a means of generating stable HEDM. Nitrogen addition into N12 is shown to yield an N14H4(2+) 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.

摘要

先前对在N12笼状结构中添加氧的研究表明，通过这种添加有可能得到稳定的高能量密度材料（HEDM）。在当前的研究中，研究了在N12中添加氮作为生成稳定HEDM的一种方法。结果表明，在N12中添加氮会产生N14H4(2+)离子，通过理论计算对其进行研究以确定其相对于解离的稳定性。通过用碳取代氮和/或用卤素取代氢来生成该离子的其他变体。将比较笼状结构的稳定性，并讨论增强稳定性的因素。