“…Compounds of Ln(II) and Ln(IV) can be generated when the relatively favorable energy of a particular 4f n /5d 1 electron configuration shows a possibility, and these uncommon species are frequently very reactive [107,108]. Moreover, to describe the orbitals for the materials having 3d-, 4f-, and 5d-electron systems, the linear augmented-Slater-type-orbital (LASTO) approach should be applied [109]. Fig.…”