Computational and optoelectronic investigations of red-emissive europium (III) β-diketonate with n-donor ligands for display applications

Sonia Redhu; Devender Singh; Kapeesha Nehra; Sumit Kumar; Rajender Singh Malik; Parvin Kumar; Jayant Sindhu

doi:10.1016/j.saa.2024.124307

Computational and optoelectronic investigations of red-emissive europium (III) β-diketonate with n-donor ligands for display applications

Spectrochim Acta A Mol Biomol Spectrosc. 2024 Jul 5:315:124307. doi: 10.1016/j.saa.2024.124307. Epub 2024 Apr 17.

Authors

Sonia Redhu¹, Devender Singh², Kapeesha Nehra¹, Sumit Kumar³, Rajender Singh Malik³, Parvin Kumar⁴, Jayant Sindhu⁵

Affiliations

¹ Department of Chemistry, Maharshi Dayanand University, Rohtak 124001, Haryana, India.
² Department of Chemistry, Maharshi Dayanand University, Rohtak 124001, Haryana, India. Electronic address: devjakhar@gmail.com.
³ Department of Chemistry, DCR University of Science and Technology, Murthal 131039, Haryana, India.
⁴ Department of Chemistry, Kurukshetra University, Kurukshetra 136119, Haryana, India.
⁵ Department of Chemistry, COBSandH, CCS Haryana Agricultural University, Hisar 125004, Haryana, India.

PMID: 38653075
DOI: 10.1016/j.saa.2024.124307

Abstract

Europium complexes exhibiting red luminescence were prepared by employing β-diketone as main ligand and 1,10-phenanthroline as an additional ligand. Various methods, including ¹H NMR, IR spectroscopy and analysis of optical band gap were employed to examine these complexes. The luminescent photophysical properties were investigated using PL spectroscopy and theoretical calculations were conducted to explore radiative transitions probabilities and Judd-Ofelt (J-O) parameters for transitions of type ⁵D₀ → ⁷F_{2, 4}. J-O parameters were determined using the JOES computer program and results were in good agreement with the outcomes obtained experimentally. The luminescence analysis results have verified the vibrant, single-color red emission of the prepared complexes. The band gap of ternary europium complexes, determined optically, electronically, and theoretically, falls within the range of 3-4 eV. This similarity indicates that these complexes are potentially suitable as semiconductor materials. The results from absorption, electrochemical and photophysical analyses indicate the potential use of synthesized complexes in lighting and display applications.

Keywords: 1,10-Phenanthroline; DFT; Judd-Ofelt parameters; Radiative transitions; Red-Emissive Eu(III) complexes; Tauc’s relation.