On the nature of bonding in N5+ ion

被引：20

作者：

Ponec, R

Roithová, J

Gironés, X

Jug, K

机构：

[1] Acad Sci Czech Republ, Inst Chem Proc Fundamentals, CR-16502 Prague 6, Czech Republic

[2] Univ Girona, Inst Computat Chem, Girona, Spain

[3] Leibniz Univ Hannover, D-30167 Hannover, Germany

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2001年 / 545卷

关键词：

Fermi holes; generalized population analysis; Lewis model;

D O I：

10.1016/S0166-1280(01)00404-3

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 structure of recently synthetized N-5(+) ion was analyzed using two recently proposed methodologies, namely the generalized population analysis and the Fermi hole analysis. It has been shown that as a remnant of its synthetic precursor, the azide ion namely, the molecule contains the system of two partially perturbed three-center four-electron (3c-4e) bonds localized in the corresponding terminal NNN fragments. This structural assignment agrees with recently proposed analyses based on other methodologies. (C) 2001 Elsevier Science BN. All rights reserved.

引用

页码：255 / 264

页数：10

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