Antiaromatic non-alternant heterocyclic compounds as molecular wires
Edmund Leary, Carlos Roldán-Piñero, Rocío Rico-Sánchez-Mateos, Linda A. Zotti
Abstract
We have theoretically studied the electron-transport properties of a family of molecular junctions containing the non-alternant antiaromatic pentalene moiety stabilised with various 5-membered heterocycles.
Topics & Concepts
AntiaromaticityMaterials scienceComputational chemistryAromaticityOrganic chemistryMoleculeChemistryMolecular Junctions and NanostructuresCyclopropane Reaction MechanismsChemical Reactions and Mechanisms