Diradicals: “Broken” Molecules

Abstract

This article describes the nature and electronic properties of kékulé diradicals from two main perspectives: i) the diradical as the result of the sequential rupture of a chemical bond; and ii) the connection between the diradical character and the singlet-triple (observable magnitud) gap by means of two mechano-quantum parameters, U ( related with the electronic repulsion) and tab (due to the electronic delocalization). The relevance of these diradicals is addressed in the context of other diradicals, such as non-kékulé and antiaromatic dira- dicals. 7 families of oligomers are presented all of them sharing quinoidal core which promotes the formation of the diradical by recovery of aromaticity. The paper closes with the explanation of the recent interest of these broken molecules in the field of organic electronics.

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