Hypsochromic solvent shift of the charge separation band in ionic donor–acceptor Li+@C60⊂[10]CPP

Photoinduced electron transfer in CPP-based donor–acceptor complexes C₆₀⊂[10]CPP and Li⁺@C₆₀⊂[10]CPP was studied using DFT/TDDFT. Unusual blue shift of charge separated states for Li⁺@C₆₀⊂[10]CPP complexes in the polar medium is predicted.