Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons
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AuthorGarcía Jiménez, Vicente; Blanco Suárez, Víctor; Cuerva Carvajal, Juan Manuel; González Campaña, Araceli
Royal Society of Chemistry
Chem. Commun., 2020, 56, 12813. [10.1039/d0cc04489j]
SponsorshipMICIU/FEDER/AEI, Spain PG2018-101181-B-I00 PGC2018-095808B-I00 MAT2016-80826-R FIP-2018-HECTIC-PTM Prometeo2019/076; MICIU/FEDER/AEI, Spain ("Severo Ochoa" Programme for Centres of Excellence in RD) SEV-2015-0496; European Research Council (ERC) 677023; DGR (Catalunya) 2017-SGR-918; Swiss National Science Foundation (SNSF) PZ00P2_174175
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 theDBHept-TBCcompound.