Analytical derivation of the Huckel "4n+2 rule"

被引：3
|
作者：
Mayer, Istvan [1 ]
机构：
[1] Hungarian Acad Sci, Chem Res Ctr, H-1525 Budapest, Hungary
来源：
THEORETICAL CHEMISTRY ACCOUNTS | 2010年 / 125卷 / 3-6期
基金：
匈牙利科学研究基金会;
关键词：
Aromaticity; Antiaromaticity; Huckel 4n+2 rule; Topology of MO nodes; POLYENES;
D O I：
10.1007/s00214-008-0504-x
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 "4n + 2 rule" is derived analytically at the level of the simple Huckel theory for neutral even-membered chains, their double ions, as well as cations and anions of the odd-membered chains, by determining the first order energetic effect of the ring closure. The topological background of the "4n + 2 rule" is also briefly discussed.
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页码：203 / 206
页数：4
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