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1.
Chemphyschem ; 23(4): e202100752, 2022 Feb 16.
Artigo em Inglês | MEDLINE | ID: mdl-34931746

RESUMO

The fine structure in the spectral lines of the visible fluorescence of Tb3+ complexes are replaced by a single peak in the case of a singular molecular complex Tb(H3 PTC)3 , where H4 PTC represents perylene-3,4,9,10-tetracarboxylic acid, and its emission wavelength depends on the film thickness. This single peak challenges the old creed that the f-orbital electrons of Tb3+ are always protected from the influence of the surrounding atoms. We perform density functional theory calculations to show that the wavefunction of the ground state is localized and in addition, spin-polarized, and this facilitates fluorescent transitions under UV to the first excited state instead of the fundamental state. We discuss the possibility of making a spintronic device with the molecule, Tb(H3 PTC)3 .

2.
Phys Chem Chem Phys ; 22(36): 20744-20750, 2020 Sep 23.
Artigo em Inglês | MEDLINE | ID: mdl-32909018

RESUMO

An organic-based bright white light emitting compound, namely Tb(H3PTC)3 [H4PTC = perylene-3,4,9,10-tetracarboxylic acid], able to be used as part of a white diode and as a part of a RGB system that can withstand high temperatures (∼700 K), is developed using perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) and terbium(iii) nitrate pentahydrate as precursors by hydrothermal synthesis. Using PTCDA as the red emitter and the new derivative of it, Tb(H3PTC)3, as the blue-green emitter, along with a common deep blue LED can form a RGB system for display technologies, around room temperature. Temperature-dependent photoluminescence properties of the Tb(H3PTC)3 compound are also investigated for the involved excitonic-emission processes and the respective recombination lifetimes. The terbium(iii) complex was prepared using a procedure that is reproducible, easily modifiable, inexpensive, and environmentally friendly, opening new pathways for its large-scale applications. Unlike PTCDA, Tb(H3PTC)3 has been shown to be soluble in N-methyl-2-pyrrolidone (NMP) as well as in dilute aqueous solutions of this organic solvent in a straightforward procedure. The light emission properties are intimately correlated with the molecular structure and electronic properties of Tb(H3PTC)3 elucidated by experimental results of X-ray Absorption Near Edge Spectroscopy (XANES), Extended X-ray Absorption Fine Structure (EXAFS) and Density Functional Theory (DFT) calculations. A bright fluorescence yield is attained with a small amount of material either in solution or in solid form showing its potential to be used in state-of-the-art organic optoelectronic devices.

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