A theoretical study of the nitrogen clusters formed from the ions N3-, N5+, and N5-

被引：67

作者：

Gagliardi, L

Orlandi, G

Evangelisti, S

Roos, BO

机构：

[1] Dipartimento Chim G Ciamician, I-40126 Bologna, Italy

[2] IRSAMC, Phys Quant Lab, F-31062 Toulouse, France

[3] Chem Ctr Lund, Dept Theoret Chem, S-22100 Lund, Sweden

来源：

JOURNAL OF CHEMICAL PHYSICS | 2001年 / 114卷 / 24期

关键词：

D O I：

10.1063/1.1370063

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 results of a theoretical study on the formation of the nitrogen cluster N-10 from the ionic species N-5(+) and N-5(-) are presented. The possibility to form N-8 from N-5(+) and N-3(-) has also been studied but no stable form was found. Structural and vibrational data are given for the different clusters. It is suggested that the anion N-5(-) might be stable enough to be synthesized. The calculations have been carried out using multiconfigurational self-consistent-field wave functions and second-order perturbation theory. (C) 2001 American Institute of Physics.

引用

页码：10733 / 10737

页数：5

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