Aromaticity of acenes: the model of migrating π-circuits

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Szczepanik, Dariusz W.
orcId Solà i Puig, Miquel​ researcherId Solà i Puig, Miquel​ scopusId Solà i Puig, Miquel​ ​
Solà i Puig, Miquel
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Krygowski, Tadeusz M.
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Szatylowicz, Halina
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Andrzejak, Marcin
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Pawełek, Barbara
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Dominikowska, Justyna
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Kukułka, Mercedes
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Dyduch, Karol
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The concept of migrating Clar's sextet is extended to explain the local aromaticity trends in linear acenes predicted by different aromaticity criteria from theoretical calculations as well as from experimental data. The electron density of delocalized bonds is used to assess the link between resonance and reactivity and to rationalize the constant-height AFM image of pentacene ​
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