Exploring the influence of emissive centers in mono and dinuclear europium(III) complexes for advance lighting applications: Synthesis, characterization and computational modelling

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2024-11-24 DOI:10.1016/j.molstruc.2024.140841

Vandana Aggarwal , Devender Singh , Shri Bhagwan , Raman Kumar Saini , Komal Jakhar , Rajender Singh Malik , Parvin Kumar , Jayant Sindhu

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Abstract

The combination of 4,4,4-trifluoro-1-phenyl-1,3-butanedione (TFPB) and pyrazine (pyz) with Eu³⁺ ions results in the formation of two distinct types of complexes, characterized by general formulae [Eu(TFPB)₃(L)₂] (here, L is either H₂O or pyrazine) and [(Eu(TFPB)₃)₂pyz]. The impact of surrounding environment on the photophysical properties of synthesized complexes was thoroughly examined. Photoluminescence (PL) analysis revealed the dominance of electric dipole (ED) transition (⁵D₀→⁷F₂) in these complexes. Theoretical calculations via Judd-Ofelt analysis were also performed. These complexes exhibit visible luminescence in both solid and solvated forms. Notably, the luminescence intensity of prepared dinuclear complex is found to be manifolds greater than its mononuclear analogues, affirming the contribution of both metal centers towards emission intensity. Furthermore, the absence of ligand centered emission in prepared complexes suggests the effective energy transfer from coordinated moieties to metal center. CIE color coordinates of prepared Eu(III) complexes, in both solid and solution media, exhibited intense red emission. DFT calculations were conducted to elucidate the distribution of electronic density in synthesized complexes. Additionally, a comprehensive analysis of these complexes, including IR, UV, NMR, thermogravimetry and cyclic voltammetry was conducted.

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.