Abstract
The α-substituted β-diketonate [Ln(3Cl-acac)3(H2O)2] [Ln = Tb, Gd] complexes (with 3Cl-acac– being 3-chloro-2,4-pentanedionate) were characterized by elemental analysis, infrared, ultraviolet (UV)-visible and photoluminescence spectroscopies. For comparison purposes regarding photoluminescence, the well-known [Tb(acac)3(H2O)2] complex was also synthesized. By considering the phosphorescence spectra of [Gd(3Cl-acac)3(H2O)2], the effect of chloride replacement of hydrogen on the triplet state energy of the 3Cl-acac ligand was revealed. To support the interpretation and rationalization of the experimental results, Time-dependent DFT calculations were performed on Tb(3Cl-acac)3(H2O)2. Additionally, the possibility of Tb(3Cl-acac)3(H2O)2 to be used as potential green-emitting phosphor material for solid-sate light emitting diodes was evaluated. A prototype was successfully fabricated coating a near-UV LED (370 nm) with the Tb(3Cl-acac)3(H2O)2 complex.
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