Enhanced light and electronic properties of a dihydrate iron(II) sulfate complex with 2,6-diaminopyridinium

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Polyhedron Pub Date : 2025-02-01 DOI:10.1016/j.poly.2024.117335

Oumaima Mastouri , Emna Bouaziz , Sergiu Shova , Mohamed Boujelbene

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Abstract

A new hybrid complex, (C₅H₈N₃)₂[Fe (H₂O)₆](SO₄)₂·2H₂O, dihydrate of bis (2,6-diaminopyridine) iron (II) sulfate, abbreviated DAPFe, was grown by slow evaporation at room temperature. It crystallizes in the orthorhombic system. The structure consists of [Fe^II (H₂O)₆]²⁺, 2,6-diaminopyridinium cation (C₅H₈N₃)²⁺, two (SO₄)²⁻ anions, and water molecules interconnected through an extensive two-dimensional hydrogen-bond network. The stability of the supramolecular structure was maintained through hydrogen bonding interactions NH…O, OH…O and π…π interactions between the aromatic rings of the 2,6-diaminopyridine units. Hirshfeld surface analysis indicates that, among all possible molecular interactions, the O…H and H…H contacts are predominant, constituting 46.1 and 39.6 % of the total interactions in the crystal lattice, respectively. Thermal analysis (TG-DTA) confirmed the thermal stability of the crystal up to 290 °C. Infrared spectrum was recorded, validating the presence of vibrational modes corresponding to both organic and inorganic groups. Finally, the optical properties were investigated using UV–Vis absorption and photoluminescence spectroscopy, supported TDDFT theoretical calculations.

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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.