Litcius/Paper detail

Triindenotriphenylenes: Spin‐Frustrated Triskelion Triradicals with Excellent Ambient Stability

Arseni Borissov, Piotr J. Chmielewski, Abel Cárdenas Valdivia, Carlos J. Gómez‐García, Juan Casado, Marcin Stępień

2024Angewandte Chemie International Edition13 citationsDOIOpen Access PDF

Abstract

Abstract A triskelion‐shaped triradical triindeno[1,2‐ a :1′,2′‐ g : 1′′,2′′‐ m ]triphenylen‐7‐yl ( 1 ) and its internally fused derivative ( 2 ) obtained by oxidative cyclization were prepared in a straightforward synthetic sequence. Both compounds were confirmed to be triradicals and to possess intramolecular antiferromagnetic exchange interactions between spins, displaying a spin‐frustrated doublet ground state with doublet‐quartet energy gaps of −0.14 kcal/mol for 1 and −0.06 kcal/mol for 2 . Despite their open‐shell character, they were sufficiently stable to be handled under ambient conditions on a timescale of days. Both compounds could be reversibly reduced to mono‐, di‐, and trianions and oxidized to 1 + and 2 2+ , with strong NIR absorptions (1800 to over 3200 nm) observed for all open‐shell ions.

Topics & Concepts

AntiferromagnetismIntramolecular forceSpinsOpen shellChemistryIonDerivative (finance)Ground stateSpin (aerodynamics)CrystallographySpin statesComputational chemistryStereochemistryInorganic chemistryAtomic physicsPhysicsOrganic chemistryCondensed matter physicsThermodynamicsFinancial economicsEconomicsMagnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryElectron Spin Resonance Studies