Toward new energy-rich molecular systems:: from N10 to N60

被引：78

作者：

Manaa, MR ^{[1
]}

机构：

[1] Univ Calif Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94551 USA

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 331卷 / 2-4期

关键词：

D O I：

10.1016/S0009-2614(00)01164-7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The electronic structure calculations locate the local minima for bicyclic N-10 and the fullerene analog N-60, both as high-energy density species. The bridging N-N bond in N-10 is quite remarkably strong (DeltaE [N-10 --> 2N(5)] = 93 kcal/ mol), yet flexible to allow a facile rotation of one ring with respect to the other. This property could permit Nio to serve as a building block for specific clustering into the nitrogen buckminsterfullerene structure. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：262 / 268

页数：7

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