Effects of benzoheterocyclic annelation on the <i>s</i> -indacene core: a computational analysis
Gabrielle I. Warren, Katarzyna Młodzikowska‐Pieńko, Said Jalife, Isabella S. Demachkie, Judy I. Wu, Michael M. Haley, Renana Gershoni‐Poranne
Abstract
-indacene-based polycyclic systems, providing a conceptual framework for predicting and tuning these properties for applications in organic electronics. This work underscores the importance of both substitution position and heterocyclic fusion in designing stable antiaromatic compounds.
Topics & Concepts
AnnulationAntiaromaticityAromaticityReactivity (psychology)Core (optical fiber)Computational chemistryChemistryMoleculeOrganic chemistryComputer scienceCatalysisTelecommunicationsMedicineAlternative medicinePathologySynthesis and Properties of Aromatic CompoundsChemical Reaction MechanismsAxial and Atropisomeric Chirality Synthesis