{"title":"铕基 β-羟基酮配合物：合成、光电、热和计算分析","authors":"Pratibha Ahlawat, Poonam Kumari, Vaishnavi Lather, Bhawna Rathee, Rajesh Kumar","doi":"10.1007/s43630-024-00561-2","DOIUrl":null,"url":null,"abstract":"<p>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), <sup>1</sup>H-NMR (Nuclear magnetic resonance), and <sup>13</sup>C-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 (<sup>5</sup>D<sub>0</sub> → <sup>7</sup>F<sub>2</sub>) 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 Ω<sub>2</sub> in the complexes reflect asymmetric chemical environment around Eu (III) and less covalence and the Ω<sub>4</sub> 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.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>","PeriodicalId":98,"journal":{"name":"Photochemical & Photobiological Sciences","volume":null,"pages":null},"PeriodicalIF":2.7000,"publicationDate":"2024-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Europium-based β-hydroxyketone complexes: synthesis, optoelectronic, thermal and computational analyses\",\"authors\":\"Pratibha Ahlawat, Poonam Kumari, Vaishnavi Lather, Bhawna Rathee, Rajesh Kumar\",\"doi\":\"10.1007/s43630-024-00561-2\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>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), <sup>1</sup>H-NMR (Nuclear magnetic resonance), and <sup>13</sup>C-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 (<sup>5</sup>D<sub>0</sub> → <sup>7</sup>F<sub>2</sub>) 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 Ω<sub>2</sub> in the complexes reflect asymmetric chemical environment around Eu (III) and less covalence and the Ω<sub>4</sub> 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.</p><h3 data-test=\\\"abstract-sub-heading\\\">Graphical abstract</h3>\",\"PeriodicalId\":98,\"journal\":{\"name\":\"Photochemical & Photobiological Sciences\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2024-04-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Photochemical & Photobiological Sciences\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1007/s43630-024-00561-2\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Photochemical & Photobiological Sciences","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1007/s43630-024-00561-2","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
Europium-based β-hydroxyketone complexes: synthesis, optoelectronic, thermal and computational analyses
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.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
