Analytical derivation of the Hückel “4n + 2 rule”

The “4 n + 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 “...

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Veröffentlicht in:	Theoretical chemistry accounts 2010-03, Vol.125 (3-6), p.203-206
1. Verfasser:	Mayer, István
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic/Molecular Structure and Spectra Chemistry Chemistry and Materials Science Inorganic Chemistry Organic Chemistry Physical Chemistry Regular Article Theoretical and Computational Chemistry
Online-Zugang:	Volltext
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Zusammenfassung:	The “4 n + 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 “4 n + 2 rule” is also briefly discussed.
ISSN:	1432-881X 1432-2234
DOI:	10.1007/s00214-008-0504-x