The role of peripheral F-/H-atoms and tert-butyl substituents in charge transfer of axially substituted titanium phthalocyanines

Abstract

A poor charge transfer (CT) characteristic between F₁₆TiOPc and axial ligand C₆₀ is observed due to the attraction of the C–F bonds to the electron cloud. In addition, the CT characteristic can be effectively improved by peripheral substitution of H-atoms or tetra-tert-butyl groups, and superior one-/two-photon absorption properties can also be achieved owing to the σ–π hyperconjugation effect in tetra-tert-butyl groups.