Dianionic and Neutral Diboron-Centered Classical Diradicaloids

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dc.contributor.authorElvers, Benedict J.
dc.contributor.authorDas, Ayan
dc.contributor.authorChrysochos, Nicolas
dc.contributor.authorUddin, Sk Imraj
dc.contributor.authorGangber, Tejaswinee
dc.contributor.authorGangber, Tejaswinee
dc.date.accessioned2024-07-04T11:25:56Z
dc.date.available2024-07-04T11:25:56Z
dc.date.issued2024
dc.departmentEğitim Fakültesi
dc.description.abstractHerein, we report the syntheses and electronic structures of crystalline dianionic as well as neutral diboron-centered classical diradicaloids as boron analogues of classical Thiele, Chichibabin, and Müller (this only for dianionic diradicaloids!) hydrocarbons. These are based on borane radical anion and NHC-stabilized boryl radical spin carriers, respectively. All these dianionic diboron-centered diradicaloids exhibit triplet population at room temperature regardless of the ?-conjugated spacer: p-phenylene, p,p?-biphenylene, or p,p?-terphenylene. In the case of neutral diboron-centered diradicaloids, the employed ?-conjugated spacer plays a crucial role for the triplet population at room temperature: EPR inactive for p-phenylene vs EPR active for p,p?-biphenylene. The findings emphasize the importance of the spin carriers for the resulting ground-state: borane radical anion vs NHC-stabilized boryl radical along with the pivotal role of the ?-conjugated spacer as spin-coupler between two spins. Notably, 100 years (a century) after the first report by Krause of the triphenyl borane radical-anion, being isoelectronic to the triphenylmethyl radical, we convey borane radical anion-based diradicaloids. Furthermore, while donor-stabilized boryl radicals were introduced in the 1980s by Giles and Roberts, said concept is herewith being extended to NHC-stabilized boryl radical-based diradicaloids.
dc.identifier.doi10.1021/jacs.3c13310
dc.identifier.endpage9011en_US
dc.identifier.issn0002-7863
dc.identifier.issue13en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage9004en_US
dc.identifier.uri10.1021/jacs.3c13310
dc.identifier.urihttps://hdl.handle.net/20.500.12451/12049
dc.identifier.volume146en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.relation.ispartofJournal of the American Chemical Society
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAromatic Compounds
dc.subjectElectron Spin Resonance Spectroscopy
dc.titleDianionic and Neutral Diboron-Centered Classical Diradicaloids
dc.typeArticle

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