Literature DB >> 21952479

Open-shell spherical aromaticity: the 2N2 + 2N + 1 (with S = N + ½) rule.

Jordi Poater1, Miquel Solà.   

Abstract

4N Baird's rule represented the extension of Hückel's 4N + 2 rule to triplet state systems. In this work we extend the 2(N + 1)(2) Hirsch rule for spherical aromatic species to open-shell spherical compounds and we provide evidence that those spherical species having a same-spin half-filled last energy level with the rest of the levels being fully-filled, i.e., those having 2N(2) + 2N + 1 electrons and S = N + ½, are aromatic. This journal is © The Royal Society of Chemistry 2011

Year:  2011        PMID: 21952479     DOI: 10.1039/c1cc14958j

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  2 in total

1.  Planar aromaticity of D N h -symmetrical systems as a perturbed two-dimensional (2D) rigid rotor.

Authors:  Denis S Tikhonov
Journal:  J Mol Model       Date:  2016-10-29       Impact factor: 1.810

2.  How do the Hückel and Baird Rules Fade away in Annulenes?

Authors:  Irene Casademont-Reig; Eloy Ramos-Cordoba; Miquel Torrent-Sucarrat; Eduard Matito
Journal:  Molecules       Date:  2020-02-07       Impact factor: 4.411

  2 in total

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