Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 125, Issue 3-6, Pages 203-206Publisher
SPRINGER
DOI: 10.1007/s00214-008-0504-x
Keywords
Aromaticity; Antiaromaticity; Huckel 4n+2 rule; Topology of MO nodes
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Funding
- Hungarian Scientific Research Fund [OTKA 71816]
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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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