{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Wu F"],"funding":["European Research Council"],"pagination":["e202202170"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9324097"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["61(23)"],"pubmed_abstract":["Open-shell non-alternant polycyclic hydrocarbons (PHs) are attracting increasing attention due to their promising applications in organic spintronics and quantum computing. Herein we report the synthesis of three cyclohepta[def]fluorene-based diradicaloids (1-3), by fusion of benzo rings on its periphery for the thermodynamic stabilization, as evidenced by multiple characterization techniques. Remarkably, all of them display a very narrow optical energy gap (E<sub>g</sub> <sup>opt</sup> =0.52-0.69 eV) and persistent stability under ambient conditions (t<sub>1/2</sub> =11.7-33.3 h). More importantly, this new type of diradicaloids possess a low-lying triplet state with an extremely small singlet-triplet energy gap, as low as 0.002 kcal mol<sup>-1</sup> , with a clear dependence on the molec"],"journal":["Angewandte Chemie (International ed. in English)"],"pubmed_title":["Benzo-Extended Cyclohepta[def]fluorene Derivatives with Very Low-Lying Triplet States."],"pmcid":["PMC9324097"],"funding_grant_id":["819698"],"pubmed_authors":["Bogani L","Liu J","Feng X","Fu Y","Liu R","Popov AA","Lombardi F","Wu F","Komber H","Dmitrieva E","Huang Z","Lohr TG","Alexandropoulos DI","Ma J","Liu F","Israel N"],"additional_accession":[]},"is_claimable":false,"name":"Benzo-Extended Cyclohepta[def]fluorene Derivatives with Very Low-Lying Triplet States.","description":"Open-shell non-alternant polycyclic hydrocarbons (PHs) are attracting increasing attention due to their promising applications in organic spintronics and quantum computing. Herein we report the synthesis of three cyclohepta[def]fluorene-based diradicaloids (1-3), by fusion of benzo rings on its periphery for the thermodynamic stabilization, as evidenced by multiple characterization techniques. Remarkably, all of them display a very narrow optical energy gap (E<sub>g</sub> <sup>opt</sup> =0.52-0.69 eV) and persistent stability under ambient conditions (t<sub>1/2</sub> =11.7-33.3 h). More importantly, this new type of diradicaloids possess a low-lying triplet state with an extremely small singlet-triplet energy gap, as low as 0.002 kcal mol<sup>-1</sup> , with a clear dependence on the molec","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Jun","modification":"2025-04-27T01:08:44.693Z","creation":"2025-04-06T18:08:59.81Z"},"accession":"S-EPMC9324097","cross_references":{"pubmed":["35290699"],"doi":["10.1002/anie.202202170"]}}