Density functional study on the electronic properties, polarizabilities, NICS values, and absorption spectra of fluorinated fullerene derivative C60F17CF3

► C60F17CF3 could be excellent electron acceptors for photonic/photovoltaic applications. ► The attached F and CF3 in C60F17CF3 greatly lead to the stronger aromatic character. ► C60F17CF3 has larger static linear polarizability and first-order hyperpolarizability than C60.