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用于光电和潜在指纹应用的钐基配合物的合成及光物理特性

Synthesis and Photophysical Characteristics of Samarium-based Complexes for Optoelectronic and Latent Fingerprint Applications.

作者信息

Goyat Shagun, Lather Vaishnavi, Khatkar Aarti, Rathee Bhawna, Taxak V B, Khatkar S P, Ahlawat Pratibha, Kumari Poonam, Kumar Vipin, Kumar Rajesh

机构信息

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

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

出版信息

J Fluoresc. 2025 Mar 25. doi: 10.1007/s10895-025-04250-w.

Abstract

In this study, five orange-red color samarium (Sm(III)) complexes were prepared using a solution precipitation method, with 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid as the primary ligand and nitrogen-donor like 1,10-phenanthroline, 2,2-biquinoline, neocuproine, and 2,2-bipyridyl as secondary ligands. The complexes were characterized using various spectral techniques, elemental analysis CHN, energy-dispersive X-ray spectroscopy (EDX), ultraviolet-visible (UV-vis), Fourier-transform infrared (FTIR), nuclear magnetic resonance (NMR) and thermal analyses by thermogravimetric analysis (TGA), differential thermal analysis (DTA). Photoluminescence spectroscopy revealed bright orange-red emissions due to the G → H transition at 605 nm in solid and 598 nm in solution, with color coordinates confirming their emission in the orange region. Structural evaluations using powder X-ray diffraction (PXRD) and scanning electron microscopy (SEM) confirmed that the complexes exhibit nanoparticle size and crystalline structure, showing their application in forensic science in latent fingerprint detection. Computational studies of highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy levels, Judd-Ofelt parameters, radiative properties, band gap, and Urbach energy indicate their potential for optoelectronic and semiconductors. The high color purity of 87.70% in solution and 77.50% in solid make them important for laser emission.

摘要

在本研究中,采用溶液沉淀法制备了五种橙红色钐(Sm(III))配合物,以9,10 - 二氟 - 2,3 - 二氢 - 3 - 甲基 - 7 - 氧代 - 7H - 吡啶并[1,2,3 - de] - 1,4 - 苯并恶嗪 - 6 - 羧酸作为主配体,以含氮配体如1,10 - 菲咯啉、2,2 - 联喹啉、新亚铜试剂和2,2 - 联吡啶作为次配体。使用各种光谱技术、元素分析CHN、能量色散X射线光谱(EDX)、紫外 - 可见(UV - vis)、傅里叶变换红外(FTIR)、核磁共振(NMR)以及热重分析(TGA)、差示热分析(DTA)对配合物进行了表征。光致发光光谱显示,由于在固体中605 nm和溶液中598 nm处的G→H跃迁,配合物发出明亮的橙红色光,颜色坐标证实其发射光在橙色区域。使用粉末X射线衍射(PXRD)和扫描电子显微镜(SEM)进行的结构评估证实,这些配合物呈现纳米颗粒尺寸和晶体结构,表明它们在法医学中潜在指纹检测方面的应用。对最高占据分子轨道(HOMO) - 最低未占据分子轨道(LUMO)能级、贾德 - 奥费尔特参数、辐射特性、带隙和乌尔巴赫能量的计算研究表明它们在光电子学和半导体方面的潜力。溶液中87.70%和固体中77.50%的高色纯度使其对激光发射具有重要意义。

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