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.
引用
收藏
页码：203 / 206
页数：4
相关论文
共 50 条
  • [1] VIOLATIONS OF THE HUCKEL (4N+2) RULE
    GUTMAN, I
    JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 1993, 40 (01) : 7 - 10
  • [2] INTERACTIONS IN CARBOCATIONS AND HUCKEL 4N+2 RULE
    SUNKO, DE
    CROATICA CHEMICA ACTA, 1980, 53 (04) : 525 - 543
  • [3] Aromaticity, the Huckel 4n+2 Rule and Magnetic Current
    Zhao, Lili
    Grande-Aztatzi, Rafael
    Foroutan-Nejad, Cina
    Ugalde, Jesus M.
    Frenking, Gernot
    CHEMISTRYSELECT, 2017, 2 (03): : 863 - 870
  • [4] Analysis of Huckel's [4n+2] Rule through Electronic Delocalization Measures
    Feixas, Ferran
    Matito, Eduard
    Sola, Miquel
    Poater, Jordi
    JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (50): : 13231 - 13238
  • [5] A GRAPH-THEORETICAL PROOF OF HUCKEL 4N+2 RULE OF AROMATICITY FOR NONALTERNANT ANNULENES
    MUKHERJEE, AK
    INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1986, 25 (06): : 574 - 575
  • [6] A Pedestrian Approach to the Aromaticity of Graphene and Nanographene: Significance of Huckel's (4n+2)π Electron Rule
    Zdetsis, Aristides D.
    Economou, E. N.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (29): : 16991 - 17003
  • [7] ON THE K(4N+2) RULE FOR FULLERENES
    BABIC, D
    TRINAJSTIC, N
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 109 : 283 - 286
  • [8] Patterns of π-electron delocalization in aromatic and antiaromatic organic compounds in the light of Huckel's 4n+2 rule
    Feixas, Ferran
    Matito, Eduard
    Sola, Miquel
    Poater, Jordi
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2010, 12 (26) : 7126 - 7137
  • [9] BUILDING OF FULLERENES AND THE K(4N+2) RULE
    LI, LF
    YOU, XZ
    THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1993, 99 (01): : 147 - 149
  • [10] Analytical derivation of the Hückel “4n + 2 rule”
    István Mayer
    Theoretical Chemistry Accounts, 2010, 125 : 203 - 206
12345