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Cited by 44Synthesis and Properties of Aromatic CompoundsAdvanced Chemical Physics StudiesGraph theory and applications

Patterns of π-electron delocalization in aromatic and antiaromatic organic compounds in the light of Hückel's 4n + 2 rule

Feixas, Ferran, Matito, Eduard, Solà, Miquel, Poater, Jordi·2010·Physical Chemistry Chemical Physics
DOI 10.1039/b924972a
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Abstract

The total pi-electron delocalization of a series of classical aromatic and antiaromatic organic compounds is separated into ortho (1,2), meta (1,3), para (1,4), and successive contributions (the so-called delocalization crossed terms) and the changes that take place in these crossed terms when two electrons are added or removed are analyzed. Our results show that these changes follow a similar alternation pattern in all cases. The patterns found represent a kind of electronic footprints that makes it possible to discern between aromatic and antiaromatic systems.

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  • Later theoretical studies supported Baird's rule for both carbocycles and heterocycles.

    “Later theoretical studies supported the proposal, now known as Baird's rule, for both carbocycles and heterocycles.”

    From Aromaticity and Antiaromaticity: How to Define Them (2025) · cites this paper as [189]

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Authors
Feixas, F., Matito, E., Solà, M., & Poater, J.
Affiliations
  • Universitat de Girona (ES)
  • University of Szczecin (PL)
Corresponding author
Poater, Jordi
ORCID
Venue
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Published
2010
Volume
12
Issue
26
Pages
7126
ISSN
  • 1463-9076 (ISSN-L)
  • 1463-9084
DOI
10.1039/b924972a
OpenAlex
W2098769089
Cited by
44
References
3
Citations by year
2026: 2 · 2025: 3 · 2024: 3 · 2023: 3 · 2022: 1 · 2021: 2 · 2020: 4 · 2019: 3 · 2017: 2 · 2016: 2 · 2015: 3 · 2014: 4 · 2013: 3 · 2012: 2
FWCI
1.90
Type
journal article
Language
en
Open access
closed
Locations
  • Physical Chemistry Chemical Physics (publishedVersion)
  • PubMed (publishedVersion)
Topics
  • Physical Sciences › Chemistry › Organic Chemistry › Synthesis and Properties of Aromatic Compounds
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
  • Physical Sciences › Mathematics › Geometry and Topology › Graph theory and applications
Keywords
π-electron delocalization, aromaticity, antiaromaticity

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