Scholarlink

<p>The present study explores the synthesis, structural characterization, photophysical properties, and computational analysis of five terbium(III) complexes derived from β-keto acid and distinct ancillary ligands—bathophenanthroline, 4,4′-dimethyl-2,2′-bipyridyl,2,2′-bipyridyl, and 1,10-phenanthroline. The compositional analyses were carried out via elemental analysis and EDAX spectra. At the same time, Scanning microscopy and Powder XRD opted to determine the shape of particles, crystallinity index and grain size. Comprehensive structure and bonding investigation are performed using UV-Vis, FTIR, and NMR (<sup>1</sup>H and <sup>13</sup>C) to validate the successful coordination of terbium ions with ligands, revealing significant electronic interactions. The photometric study of terbium complexes shows characteristic bands of Tb (III) ion in emission spectra at 490, 549, 587, and 623&#xa0;nm, corresponding to&#xa0;<InlineEquation ID="IEq1"> <EquationSource Format="TEX">\({}^5D_4\;\rightarrow\;{}^7F_j\)</EquationSource> </InlineEquation> transitions, with notable intensity variations influenced by ligand environment. The colorimetric parameters including Commission International de I’Eclairage 1931 (CIE), Correlated Color Temperature and color purity indicate the applicability of present complexes in optoelectronic applications, particularly in cool-emission lighting and display technologies due to their bright green emission. Additionally, their extreme thermal integrity and their optimum band gap suggest their utilization in WOLEDs. Computational studies, including HOMO-LUMO analysis, support experimental findings by providing insights into electronic structure, chemical reactivity, and energy transfer dynamics which implies application in military radars, solar and next-generation photonic and electroluminescent devices.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Comprehensive synthesis and multifaceted exploration of Tb (III) ion: Structural, photophysical and computational insights for optoelectronic advancements

  • 期刊论文

  • 发表日期：

    2025年10月15日

查看全文
  • Riya Gaur,
  • Ashish Dahiya,
  • Priti Boora Doon

摘要

The present study explores the synthesis, structural characterization, photophysical properties, and computational analysis of five terbium(III) complexes derived from β-keto acid and distinct ancillary ligands—bathophenanthroline, 4,4′-dimethyl-2,2′-bipyridyl,2,2′-bipyridyl, and 1,10-phenanthroline. The compositional analyses were carried out via elemental analysis and EDAX spectra. At the same time, Scanning microscopy and Powder XRD opted to determine the shape of particles, crystallinity index and grain size. Comprehensive structure and bonding investigation are performed using UV-Vis, FTIR, and NMR (1H and 13C) to validate the successful coordination of terbium ions with ligands, revealing significant electronic interactions. The photometric study of terbium complexes shows characteristic bands of Tb (III) ion in emission spectra at 490, 549, 587, and 623 nm, corresponding to  \({}^5D_4\;\rightarrow\;{}^7F_j\) transitions, with notable intensity variations influenced by ligand environment. The colorimetric parameters including Commission International de I’Eclairage 1931 (CIE), Correlated Color Temperature and color purity indicate the applicability of present complexes in optoelectronic applications, particularly in cool-emission lighting and display technologies due to their bright green emission. Additionally, their extreme thermal integrity and their optimum band gap suggest their utilization in WOLEDs. Computational studies, including HOMO-LUMO analysis, support experimental findings by providing insights into electronic structure, chemical reactivity, and energy transfer dynamics which implies application in military radars, solar and next-generation photonic and electroluminescent devices.