Photoluminescent performance of bright orange light emanating Sm(III) complexes with β-ketoester functionalized ligand for competent photophysical appliances

Designing and Judd–Ofelt evaluation of versatile luminescent Eu (III) complexes sensitized with β‐diketone ligand for multifarious applications

“…In the resultant spectra of E1‐E5 complexes, the bonding of europium ion with the carbonyl group of BP is attributed to the shifting as well as the change in the intensity of peaks. The appearance of more signals in the 7.0–9.0‐ppm range is attributed to the binding of auxiliary ligands to Eu (III) [21]. The spectral profiles of E1‐E5 complexes are similar, so as an example, the 1 H‐NMR spectra of theE5 complex and BP are shown in Figure 3a,b.…”

“…The value of E g for Eu (III) complexes E1‐E5 is less in comparison to that of ligand BP in view of the fact that there is a drop in the energy gap of valence and conduction bands owing to the enlarged structural framework in Eu 3+ complexes. The value of E g for the ligand and its complexes (Table 4) lies in the wide band gap semiconductor range (2–4 eV) [21]. Figure 6a,b depicts Tauc plot of BP and E5 complex, whereas the insets portray their diffuse reflectance spectra.…”

“…Moreover, the synergistic effect of bidentate nitrogen donors enhances the outcome of luminescence intensity of Eu 3+ complexes (E2‐E4) in which the main ligand BP and auxiliary ligands function simultaneously in populating the 4f excited state of Eu 3+ by transferring the energy. The S 1 and T 1 states of bidentate nitrogen donors are taken from reported literature (Table 6) [20–43]. The energy transfer process is the same as that in E1‐E5 complexes, so as an example, the energy level diagram of E5 complexes is shown in Figure 11b.…”

“…Color purity (CP) of the E1‐E5 complexes was computed to determine the extent of saturation of light emitted toward monochromatic color. CP of the synthesized complexes was attained by using the illumination source as standard ( x i = 0.333, y i = 0.333) in the following expression [38]: …”

Computational analysis, Urbach energy and Judd–Ofelt parameter of warm Sm3+complexes having applications in photovoltaic and display devices

“… 97 Single-point energy calculations were performed at the B3LYP level of density functional theory (DFT) with basis set def2-SVP. 83 Frontier molecular orbitals (FMOs) were visualised using the Avogadro software from the ORCA output file. Fig.…”