Ground state EDA complex formation between [60]fullerene and a series of polynuclear aromatic hydrocarbons

Abstract

Formation constants of 1∶1 adducts of [60]fullerene with naphthalene, phenanthrene, anthracene, pyrene and chrysene have been determined in CCl4 medium. Ionisation potentials of donor molecules and charge transfer (CT) transition energies of the [60]fullerene adducts have been found to correlate in accordance with the Mulliken equation. From such correlation the electron affinity of [60]fullerene has been calculated to be 2.32 eV in solution. A good estimate for the sp2C–sp2C resonance integral β in benzenoid hydrocarbons has also been obtained from the observed CT transition energies.