Theoretical study of the one- and two-photon absorption properties of two series of fluorene derivatives

A dipolar molecule and two series of fluorene derivatives with different peripheral substituted groups have been investigated. The ground state geometries and electronic structures are obtained using the B3LYP/6-31G(d) method. Based on the correct geometrical and electronic structures, the one- and two-photon absorption properties are predicted by the ZINDO-SOS method.