Bonding, energetic, electronic delocalization and optical properties of MCp3 complexes, where MÂ =Â Sc, Y, La, Ac, Lu, Ce, Yb and Th

► In this Letter we evaluated the bonding nature and electronic properties of a series of MCp3 complexes. ► We employed the Morokuma-Ziegler method to determinate the M-Cp3 interaction. ► The NBO analysis reveals significant charge transfer from the Cp3 rings toward the central metal.