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Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons
06 November 2020

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.

 

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.

 

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Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons


Vicente G Jiménez, Paula Mayorga Burrezo, Victor Blanco, Vega Lloveras, Carlos J. Gomez Garcia, Tomas Solomek, Juan Manuel Cuerva, Jaume Veciana and Araceli G. Campaña

Chem. Commun., 2020, Accepted Manuscript. 
https://doi.org/10.1039/D0CC04489J

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