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Europium-based β-hydroxyketone complexes: synthesis, optoelectronic, thermal and computational analyses

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Abstract

Six red-light-emitting Eu(III) complexes having a β-hydroxyketone as ligand and heterocyclic ring containing compounds as ancillary ligands were synthesized to explore their use in displays and optoelectronics. The coordinating behavior of complexes was determined by various techniques such as FTIR (Fourier transform infrared), 1H-NMR (Nuclear magnetic resonance), and 13C-NMR that establishes a bonding of ligand and ancillary ligand with the Eu(III) ion. Morphology and purity were investigated through XRD (X-ray diffraction), SEM (scanning electron microscopy) and EDS (energy-dispersive X-ray spectroscopy) analyses that suggest semicrystalline and pure complex formation. Thermal analysis of complexes by TGA/DTG (thermogravimetric/derivative thermogravimetric) indicates that complexes are stable upto 200 ºC temperature making them suitable for use in display devices. Analysis of the photophysical properties was carried out in both solid and solution states using PL (photoluminescence) studies, color parameters, J–O (Judd–Ofelt) analysis and bandgap. Most emissive transition (5D0 → 7F2) is responsible for the red emission in the complexes. The CIE (Commission International de I’Eclairage) coordinates of complexes also indicate the red emission on UV excitation. The bandgap which was obtained in the range of 2.54–3.02 eV reveals the semiconducting behavior of complexes. Values of J–O parameters and Ω2 in the complexes reflect asymmetric chemical environment around Eu (III) and less covalence and the Ω4 indicates that complexes are less rigid. Bandgap calculated through DFT (density function theory) for complexes is in range of 2.37–2.77 eV, and intensity parameters (J–O), energy transfer rates, and spherical coordinates were determined by LUMPAC software. The computational data are in good harmony with the experimental data. Further biological aspects of complexes were studied using antioxidant and antimicrobial studies.

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Acknowledgements

One of the authors, Pratibha Ahlawat, admiringly acknowledges the Department of UIET and Department of Chemistry, Maharshi Dayanand University, Rohtak for providing instrumental facilities and University Grants Commission (UGC) in New Delhi, India in for providing funding in the form of senior research fellowship (SRF) {Award no: 16-6(Dec.2017)/2018(NET/CSIR)} to finish this work.

Funding

Pratibha Ahlawat, one of the authors, is grateful for the financial support from University Grants Commission (UGC) in New Delhi, India in form of senior research fellowship (SRF) (Award no: {Award no: 16-6(Dec.2017)/2018(NET/CSIR)}) to finish this work.

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  1. University Institute of Engineering and Technology, Maharshi Dayanand University, Rohtak, 124001, India

    Pratibha Ahlawat, Poonam Kumari, Bhawna Rathee & Rajesh Kumar

  2. Shri Guru Ram Rai Institute of Medical and Health Sciences, Dehradun, Uttarakhand, 248001, India

    Vaishnavi Lather

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Pratibha Ahlawat performed the experimental works, data collection, analysis, interpretation and wrote the original manuscript. Poonam Kumari and Bhawna Rathee contributed to the experimental and review of manuscript. Vaishnavi Lather helped in the analysis of biological properties. Rajesh Kumar contributed to the supervision, technical support, editing functions and manuscript review.

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Ahlawat, P., Kumari, P., Lather, V. et al. Europium-based β-hydroxyketone complexes: synthesis, optoelectronic, thermal and computational analyses. Photochem Photobiol Sci (2024). https://doi.org/10.1007/s43630-024-00561-2

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