Characterization of N+n=2-18 clusters produced by 252Cf fission fragment impact on a N2 ice target

被引：12

作者：

Fernandez-Lima, F. A.

Ponciano, C. R.

Faraudo, G. S.

Grivet, M.

da Silveira, E. F.

Nascimento, M. A. Chaer

机构：

[1] Pontificia Univ Catolica Rio de Janeiro, Dept Fis, Rio De Janeiro, Brazil

[2] Pontificia Univ Catolica Rio de Janeiro, Inst Quim, Rio De Janeiro, Brazil

来源：

CHEMICAL PHYSICS | 2007年 / 340卷 / 1-3期

关键词：

nitrogen clusters; density functional theory; cluster stability; cluster taxonomy; binding energy; Cf-252-PDMS;

D O I：

10.1016/j.chemphys.2007.08.022

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 structures and abundances of N-n = 2-18(+) clusters produced by impact of Cf-252 fission fragments (FF) on N-2 ice target are analyzed. A systematic search for the more stable conformers at the DFT/B3LYP level and a recently proposed methodology for a proper taxonomic description (D-plot) of the cluster isomers in series are presented. Several new members of the previously reported linear series have been identified. Besides that, three new series of clusters and some other stable structures have also been found. The clusters stability and ionization potential analysis showed that the Cf-252 FF exponential dependence of the cluster yield with its mass is rather a consequence of the production mechanism than that of the cluster structure. (C) 2007 Elsevier B.V. All rights reserved.

引用

页码：127 / 133

页数：7

共 32 条

[31] Ab initio and density functional theory study of the mechanism of synthesis of the N5+ cation [J].