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

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The "4n + 2 rule" is derived analytically at the level of the simple Hückel 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.

Original languageEnglish
Pages (from-to)203-206
Number of pages4
JournalTheoretical Chemistry Accounts
Volume125
Issue number3-6
DOIs
Publication statusPublished - Mar 2010

Fingerprint

Anions
Cations
derivation
Ions
closures
anions
cations
rings
ions

Keywords

  • Antiaromaticity
  • Aromaticity
  • Huckel 4n + 2 rule
  • Topology of MO nodes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Analytical derivation of the Hückel "4n + 2 rule". / Mayer, I.

In: Theoretical Chemistry Accounts, Vol. 125, No. 3-6, 03.2010, p. 203-206.

Research output: Contribution to journalArticle

@article{e40aefa227d24d4cac210f20916223ba,
title = "Analytical derivation of the H{\"u}ckel {"}4n + 2 rule{"}",
abstract = "The {"}4n + 2 rule{"} is derived analytically at the level of the simple H{\"u}ckel 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.",
keywords = "Antiaromaticity, Aromaticity, Huckel 4n + 2 rule, Topology of MO nodes",
author = "I. Mayer",
year = "2010",
month = "3",
doi = "10.1007/s00214-008-0504-x",
language = "English",
volume = "125",
pages = "203--206",
journal = "Theoretical Chemistry Accounts",
issn = "1432-881X",
publisher = "Springer New York",
number = "3-6",

}

TY - JOUR

T1 - Analytical derivation of the Hückel "4n + 2 rule"

AU - Mayer, I.

PY - 2010/3

Y1 - 2010/3

N2 - The "4n + 2 rule" is derived analytically at the level of the simple Hückel 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.

AB - The "4n + 2 rule" is derived analytically at the level of the simple Hückel 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.

KW - Antiaromaticity

KW - Aromaticity

KW - Huckel 4n + 2 rule

KW - Topology of MO nodes

UR - http://www.scopus.com/inward/record.url?scp=77949266105&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77949266105&partnerID=8YFLogxK

U2 - 10.1007/s00214-008-0504-x

DO - 10.1007/s00214-008-0504-x

M3 - Article

AN - SCOPUS:77949266105

VL - 125

SP - 203

EP - 206

JO - Theoretical Chemistry Accounts

JF - Theoretical Chemistry Accounts

SN - 1432-881X

IS - 3-6

ER -