Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP)
In this work, a new hybrid compound3,4-diaminopyridinium perchlorate with the formula (C5H8N3)ClO4 abbreviated 3,4-DAPP was synthesized in aqueous solution by the slow evaporation. It crystallizes in the monoclinic system, with a non-centrosymmetric space group P21 with the following parameters: a =...
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Elsevier
2025-03-01
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| author | Soulayma Mtar Sameh Sellami Nassira Chniba-Boudjada Mohamed Boujelbene |
| author_facet | Soulayma Mtar Sameh Sellami Nassira Chniba-Boudjada Mohamed Boujelbene |
| author_sort | Soulayma Mtar |
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| description | In this work, a new hybrid compound3,4-diaminopyridinium perchlorate with the formula (C5H8N3)ClO4 abbreviated 3,4-DAPP was synthesized in aqueous solution by the slow evaporation. It crystallizes in the monoclinic system, with a non-centrosymmetric space group P21 with the following parameters: a = 5.1261 (9), b = 9.3003 (17), c = 8.6659 (16) Å and β = 102.595 (7) °. However, the supramolecular structure was built from perchlorate anions (ClO4)− and diaminopyridinum organic cations (C5H8N3)+ connected with hydrogen bonds to form a three-dimensional network. Fourier transform infrared (FTIR) and Raman spectra indicate that the vibrational modes correspond to both inorganic and organic entities. According to Hirschfeld's analysis, the crystal packing is mainly stabilized by the presence of hydrogen bonds O⋯H (50 %), as well as the crystal void analysis indicates the mechanical stability of the structure. Furthermore, the thermal behavior studied by (TGA-DTA) and differential calorimetry (DSC) appears to have stability up to 280 °C. Additionally, the optical properties were investigated by UV–Vis absorption and photoluminescence spectroscopy, which exhibit emission property, and a band gap energy of 3.9 eV. Finally, biological activity tests revealed that 3,4-DAPP exhibited moderate antibacterial activity, particularly against Bacillus cereus. However, it was less effective than 3,4-diaminopyridine (3,4-DAP) against several other bacteria, indicating that the perchlorate group in 3,4-DAPP may reduce its antimicrobial efficacy. |
| format | Article |
| id | doaj-art-5a01e3a9303f462ab2e9729d7d1b5843 |
| institution | Kabale University |
| issn | 2211-7156 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Elsevier |
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| series | Results in Chemistry |
| spelling | doaj-art-5a01e3a9303f462ab2e9729d7d1b58432025-02-06T05:11:33ZengElsevierResults in Chemistry2211-71562025-03-0114102078Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP)Soulayma Mtar0Sameh Sellami1Nassira Chniba-Boudjada2Mohamed Boujelbene3Laboratory of Solid State Physics and Chemistry, LR11 ES51, department of Chemistry, Faculty of Sciences of Sfax, University of Sfax, 3071 Sfax, TunisiaBiopesticides Laboratory, Centre of Biotechnology of Sfax, Sfax University, P.O. Box ‘1177’, 3018 Sfax, TunisiaUniversité Grenoble Alpes, Institut Neel, CNRS, 38000 Grenoble, FranceLaboratory of Solid State Physics and Chemistry, LR11 ES51, department of Chemistry, Faculty of Sciences of Sfax, University of Sfax, 3071 Sfax, Tunisia; Corresponding author.In this work, a new hybrid compound3,4-diaminopyridinium perchlorate with the formula (C5H8N3)ClO4 abbreviated 3,4-DAPP was synthesized in aqueous solution by the slow evaporation. It crystallizes in the monoclinic system, with a non-centrosymmetric space group P21 with the following parameters: a = 5.1261 (9), b = 9.3003 (17), c = 8.6659 (16) Å and β = 102.595 (7) °. However, the supramolecular structure was built from perchlorate anions (ClO4)− and diaminopyridinum organic cations (C5H8N3)+ connected with hydrogen bonds to form a three-dimensional network. Fourier transform infrared (FTIR) and Raman spectra indicate that the vibrational modes correspond to both inorganic and organic entities. According to Hirschfeld's analysis, the crystal packing is mainly stabilized by the presence of hydrogen bonds O⋯H (50 %), as well as the crystal void analysis indicates the mechanical stability of the structure. Furthermore, the thermal behavior studied by (TGA-DTA) and differential calorimetry (DSC) appears to have stability up to 280 °C. Additionally, the optical properties were investigated by UV–Vis absorption and photoluminescence spectroscopy, which exhibit emission property, and a band gap energy of 3.9 eV. Finally, biological activity tests revealed that 3,4-DAPP exhibited moderate antibacterial activity, particularly against Bacillus cereus. However, it was less effective than 3,4-diaminopyridine (3,4-DAP) against several other bacteria, indicating that the perchlorate group in 3,4-DAPP may reduce its antimicrobial efficacy.http://www.sciencedirect.com/science/article/pii/S221171562500061XNon-centrosymmetric hybridSupramolecularCrystal voidsOptical propertyDFT calculationIn-vitro antibacterial. |
| spellingShingle | Soulayma Mtar Sameh Sellami Nassira Chniba-Boudjada Mohamed Boujelbene Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP) Results in Chemistry Non-centrosymmetric hybrid Supramolecular Crystal voids Optical property DFT calculation In-vitro antibacterial. |
| title | Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP) |
| title_full | Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP) |
| title_fullStr | Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP) |
| title_full_unstemmed | Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP) |
| title_short | Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP) |
| title_sort | structural study optical properties thermal stability and biological activity of a non centrosymmetric hybrid compound 3 4 diaminopyridinium perchlorate 3 4 dapp |
| topic | Non-centrosymmetric hybrid Supramolecular Crystal voids Optical property DFT calculation In-vitro antibacterial. |
| url | http://www.sciencedirect.com/science/article/pii/S221171562500061X |
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