An experimental and quantum mechanical study on luminescence properties of SM(β-Nbm)3·(Pd)

► Rare-earth ternary complexes Sm(β-NBM)3·(PD) are synthesized and characterized. ► Sm(β-NBM)3·(PD) shows orange emission due to the 4G5/2→6Hj transitions of the central Sm3+ ions. ► HOMO and LUMO energy levels of Sm(β-NBM)3·(PD) are of 6.20 and 3.25 eV. ► “Antenna effect” exists in the luminescence of Sm(β-NBM)3·(PD).