Odd-Number Cyclo[<i>n</i>]Carbons Sustaining Alternating Aromaticity
Glib Baryshnikov, Rashid R. Valiev, Lenara I. Valiulina, Alexander E. Kurtsevich, Theo Kurtén, Dage Sundholm, Michael Pittelkow, Jinglai Zhang, Hans Ågren
Abstract
]carbons leading to resonance structures that have different reactivity toward dimerization.
Topics & Concepts
AromaticityCarbeneDelocalized electronAntiaromaticityChemistrySinglet stateDensity functional theoryComputational chemistryGround stateAnnuleneComplete active spaceAb initioCrystallographyMoleculeAtomic physicsExcited stateOrganic chemistryPhysicsBasis setCatalysisSynthesis and Properties of Aromatic CompoundsFullerene Chemistry and ApplicationsOrganic Electronics and Photovoltaics