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A series of novel lanthanide β‐diketonate coordination compounds containing the ancillary ligand bis(diphenylphosphino) oxide (dppeO2) have been synthesized, characterized, and studied spectroscopically. The compounds of formulas Ln(β‐dik)3(dppeO2), where Ln: Eu and Gd and β‐dik ligands as tta (Ln‐1), btf (Ln‐2), bzac (Ln‐5) and tfac (Ln‐4), and Ln2(β‐dik)6(dppeO2) with ligand dbm (Ln‐3) and fod (Ln‐6). Their photophysical properties were investigated from the Judd‐Ofelt intensity parameters (Ωλ ${{\Omega }_{\lambda }}$), radiative (Arad ${{A}_{rad}}$) and non‐radiative (Anrad ${{A}_{nrad}}$) rates, intrinsic (QEuEu ${{Q}_{Eu}^{Eu}}$) and overall (QEuL ${{Q}_{Eu}^{L}}$) quantum yields, and CIE (x,y) color coordinates. The Eu‐5 and Eu‐6 compounds have the first excited triplet states T1 (around 18802 and 18976 cm−1, respectively) almost resonant with the Eu3+ 5D0 emission level, whereas the complexes Eu‐1, Eu‐2, Eu‐3, and Eu‐4 exhibited higher T1 energies. The Arad ${{A}_{rad}}$ values were predominantly driven by the intensity parameter Ω2 ${{\Omega }_{2}}$ , suggesting more pronounced angular changes in the first coordination sphere of the Eu3+ ion. The Anrad ${{A}_{nrad}}$ values also exhibited significant changes with the β‐diketonate ligands. Eu‐1 showed the highest value of QEuL ${{Q}_{Eu}^{L}}$ (60 %), indicating a more efficient intramolecular energy transfer process. On the other hand, Eu‐5 and Eu‐6 compounds showed QEuL ${{Q}_{Eu}^{L}}$ values equal to 18.7 % and 16.5 %, respectively, which indicates the presence of luminescence quencher channels. [ABSTRACT FROM AUTHOR]

This study employs electrochemical and Density Functional Theory (DFT) calculation approaches to investigate the potential of a novel analogue of trimetozine (TMZ) antioxidant profile. The correlation between oxidative stress and psychological disorders indicates that antioxidants may be an effective alternative treatment option. Butylatedhydroxytoluene (BHT) is a synthetic antioxidant widely used in industry. The BHT-TMZ compound derived from molecular hybridization, known as LQFM289, has shown promising results in early trials, and this study aims to elucidate its electrochemical properties to further support its potential as a therapeutic agent. The electrochemical behavior of LQFM289 was investigated using voltammetry and a mechanism for the redox process was proposed based on the compound's behavior. LQFM289 exhibits two distinct oxidation peaks: the first peak, Ep1a ≈ 0.49, corresponds to the oxidation of the phenolic fraction (BHT), and the second peak, Ep2a ≈ 1.2 V (vs. Ag/AgCl/KClsat), denotes the oxidation of the amino group from morpholine. Electroanalysis was used to identify the redox potentials of the compound, providing insight into its reactivity and stability in different environments. A redox mechanism was proposed based on the resulting peak potentials. The DFT calculation elucidates the electronic structure of LQFM289, resembling the precursors of molecular hybridization (BHT and TMZ), which may also dictate the pharmacophoric performance. [ABSTRACT FROM AUTHOR]

This study focuses on the synthesis and characterization of the novel Ni(II)(L-threoninato)2(H2O)2 crystal, a bivalent transition metal complex based on Ni(II) ions, based on crystalline structure and thermal properties. Through crystallographic analysis, we reveal that Ni(II)(L-threoninato)2(H2O)2 complex adopts an orthorhombic system with the C2221 space group. To gain insights into its thermal behavior, thermogravimetric analysis, and differential scanning calorimetry techniques were employed to estimate kinetic parameters related to its thermal degradation. Model-free analysis, employing Friedman, Ozawa-Flynn-Wall, and Kissinger-Akahira-Sunose methods, along with model-based analysis, were utilized to evaluate the activation energy and the logarithm of the pre-exponential factor. Furthermore, we elucidated the complex's crystalline structure thermal behavior using Powder X-ray Diffraction measurements as a function of temperature, at air and under vacuum. No phase transitions were detected at low temperatures only at high temperatures due to loss of water molecules. The measurements showed the crystal goes to a partially crystalline anhydrous phase with a certain long-range order in the [001] direction. Through Rietveld refinement the behavior of the lattice parameters and thermal expansion coefficients were obtained. This comprehensive study provides valuable knowledge about the Ni(II)(L-threoninato)2(H2O)2 crystals and lays the foundation for further exploration of similar complexes. 3D-plot of the thermal decomposition showing the TGA curve and the IR spectra of the released gases. XRD pattern showing the crystal keeps a long-range order in the [001] direction during the water loss partial amorphization. Thermal behavior of lattice parameters obtained by Rietveld refinement. [Display omitted] • Synthesis and crystal structure of the novel Ni(II)(L-threoninato) 2 (H 2 O) 2 crystal. • Thermal behavior of the Ni(II)(L-threoninato) 2 (H 2 O) 2 crystal by means of PXRD. • Thermal behavior and kinetic studies using TGA and DSC analysis. • Thermal expansion coefficients in air atmosphere and also under vacuum. • Partially crystalline anhydrous phase with long-range order in [001] direction. [ABSTRACT FROM AUTHOR]