Four-component relativistic calculations on the mono-ammine complexes of trivalent f0, f7, and f14 ions

Mono-ammine complexes of trivalent f0, f7, and f14 ions were investigated by using all-electron four-component relativistic calculations based on the Dirac–Hartree–Fock (DHF) method. Relativistic second-order Møller–Plesset perturbation (RMP2) calculations were also performed to incorporate electron correlation for the closed-shell systems. A comparison with the previous data of the aqua complexes showed that the ammine complex provides longer metal–ligand distance, larger stabilization energy, and larger amount of electron donation than the aqua complex does for a certain metal ion.