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
收藏
页码：255 / 264
页数：10
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