Synthesis,Intermolecular Interaction,and Semiconductive Behavior of a Delocalized Singlet Biradical Hydrocarbon

摘要

Most Kekule hydrocarbons,which are characterized by a closed-shell electron configuration,accommodate their pi electrons only in bonding orbitals and consequently are quite stable.In general,such stable Kekule compounds have wide HOMO-LUMO gaps,and their electronic structures in the ground state can be well described by a single electron configuration ~1PHI_0.