On the dependence of the luminescence intensity of rare-earth compounds with pressure: a theoretical study of Eu(TTF)32H2O in polymeric solution and crystalline phases

Synthesis and Luminescent Properties of Novel Europium(III) Heterocyclic β‐Diketone Complexes with Lewis Bases: Structural Analysis Using the Sparkle/AM1 Model

“…According to the theoretical model developed by Malta et al, [22,23] the following expression was obtained for the ligand-lanthanide ion energy-transfer (ET) rate, W ET [Equation (1)]. (1) The first term, W mm ET , corresponds to the energy-transfer rate obtained from the multipolar mechanism and Equations (2) and (3) (2) (3) which correspond to the dipole-2 λ pole mechanism (λ = 2, 4, and 6), and Equation (4) (4) corresponding to the dipole-dipole mechanism (λ = 2, 4, and 6).…”

“…[25] The numerical solution of the rate equations describing the kinetics of the 4f-4f luminescence was carried out according to this model. [23] These numerical solutions of the rate equations yield the time dependence of the energy level populations, which reach the steady-state regime after 10 -6 -10 -5 s. These steady-state populations were then used to calculate the emission quantum yield, which is given by Equation (8) (8) where the subscripts 1 and 2 indicate the ground state and the emitting level ( 5 D 0 ), respectively, in the complex, A T is the sum of the coefficients of spontaneous emission for the 5 D 0 Ǟ 7 F 0,1,2,4 transitions, and φ is the pumping rate. The microanalyses of complexes 1-4 show that the Eu 3+ ion has reacted with 3-phenyl-4-(4-toluoyl)-5-isoxazolone in a metal/ligand molar ratio of 1:3.…”

Recent advances in lanthanide spectroscopy in Brazil

“…In this system (Fig. 17) The energy transfer (ligand-to-metal) in this material was also described using the model developed by Malta et al [2,3], and Judd-Ofelt intensity parameters were obtained for the prepared material. The 2D view of this coordination polymer is shown in Fig.…”

“…The development of new theoretical models and methodologies in this field has been shown to be very important in the last decades, since they nicely complement and enrich experimental investigations, as well as guide new experiments. Theoretical models addressing energy transfer processes [2,3], ligand field interactions [4], electronic transitions [5], chemical bond properties [6], geometry optimization [7], among others [1], have been extensively used due to their large applicability to this research field. Many of these theoretical models and investigations carry the name of Prof. Oscar L. Malta, who has done pioneering work in the field of lanthanide spectroscopy in Brazil for almost four decades, and whose contributions are also internationally recognized.…”

Synthesis, characterization and spectroscopic study of Eu(III) complexes with 3-aminopicolinic acid derivatives

“…The system of rate equations, represented by Eq. (5), has been numerically solved by the 4th order Runge-Kutta method [23].…”