Noncovalent intermolecular interactions between pyrazine and thiophene: Harnessing a luminescent ‘binuclear cadmium (II)’ coordination complex for the trace quantity detection of Fe3+ ion and modelling a smart device

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron Pub Date : 2025-05-17 DOI:10.1016/j.poly.2025.117602

Arka Patra , Pubali Das , Gurupada Bairy , Nayim Sepay , Suvendu Maity , Suprava Bhunia , Partha Pratim Ray , Chittaranjan Sinha

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引用次数: 0

Abstract

Detection of trace amount of analyte through a dual mode sensing method has an edge over solitary signalling method because of its precision and efficacy. On the other hand, in the modern era of energy crisis, alternate sustainable storage device manufacturing has become a regularity to provide a green platform and to diminish carbon footprints from earth. To learn these model, we have designed a soberly emissive binuclear cadmium (II) complex, {[Cd₂(tppz)(2,5-TDA)₂(H₂O)₄]₂.(2H₂O)} (C1) (tppz = tetra-2-pyridinylpyrazine; 2,5-TDA²⁻ = 2,5-thiophenedicarboxylate). The Single Crystal X-ray diffraction analysis of C1 has validated its structural integrity and revealed notable noncovalent intermolecular interactions between the electron-accepting pyridinyl and the electron-donating thiophenyl rings, with a distance of 3.770 Å between two adjacent molecules. Consistent with the experimental data, the fluorogenic technique shows superior sensitivity for Fe³⁺ detection, with a Limit of Detection (LOD) of 84.6 nM, compared to the colorimetric method, which has a LOD of 3.57 µM. The optical band gap (3.57 eV) of the complex predominantly falls within the semiconducting range, making it particularly suitable for the development of a Schottky diode, which can serve as a viable approach to mitigate the energy crisis in the realm of contemporary sustainable research. An electrical conductivity of 2.60 × 10⁻⁴ Sm⁻¹, coupled with the visible remediation of iron (III) ions, underscores the potential application of the complex in the realm of materials.

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吡嗪和噻吩之间的非共价分子间相互作用：利用发光“双核镉（II）”配合物进行痕量Fe3+离子检测和智能设备建模

双模传感法检测痕量分析物的精度和有效性优于孤立信号法。另一方面，在能源危机的现代，替代可持续存储设备的制造已经成为一种常态，为地球提供绿色平台，减少碳足迹。为了学习这些模型，我们设计了一个清醒发射的双核镉（II）配合物，{[Cd2(tppz)(2,5- tda)2(H2O)4]2.(2H2O)} (C1) (tppz = tetra-2-pyridinylpyrazine；2,5- tda2−= 2,5-噻吩二羧酸盐)。C1的单晶x射线衍射分析证实了其结构的完整性，并揭示了接受电子的吡啶基与给予电子的噻吩基环之间存在明显的非共价分子间相互作用，两个相邻分子之间的距离为3.770 Å。与实验数据一致，荧光技术对Fe3+的检测灵敏度更高，检测限（LOD）为84.6 nM，而比色法的LOD为3.57µM。该复合物的光学带隙（3.57 eV）主要落在半导体范围内，使其特别适合于肖特基二极管的开发，这可以作为缓解当代可持续研究领域能源危机的可行方法。电导率为2.60 × 10−4 Sm−1，再加上铁（III）离子的可见修复，强调了该配合物在材料领域的潜在应用。

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来源期刊

Polyhedron 化学-晶体学

CiteScore

4.90

自引率

7.70%

发文量

515

审稿时长

2 months

期刊介绍： Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry. Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.