Publication: Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons.
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2020-09-23
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Jiménez, Vicente G
Mayorga-Burrezo, Paula
Blanco, Victor
Lloveras, Vega
Gómez-García, Carlos J
Šolomek, Tomáš
Cuerva, Juan M
Veciana, Jaume
Campaña, Araceli G
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Abstract
Thiele (Th) and tetrabenzo-Chichibabin (TBC) derivatives with terminal dibenzocycloheptatriene (DBHept) units were prepared. A clear correlation between their electronic and molecular structures was stablished. Insights into their closed- or open-shell ground states were gained, where particular contribution of the heptagonal carbocycles as end-groups was proved. Remarkably, a thermally accessible triplet diradical configuration was confirmed for the DBHept-TBC compound.