Journal of Physical Chemistry, Vol.99, No.32, 12301-12304, 1995
Photoinduced Charge-Transfer in Excited C-60
Based on the original inequality, I*(D) - A(A) - U-C < 0, a generalized mechanism for photoinduced charge transfer (PCT) in the excited C-60 is proposed. Using the single configuration interaction approximation, we find that the increase of the electron affinity in the excited C-60, which has been experimentally confirmed, plays a critical role in the photoinduced charge transfer. This role becomes more significant when the donor is not excited. We discover that the increase of the electron-phonon coupling a can improve the electron affinity significantly, whereas the electron-electron interaction slightly affects the electron affinity.