Detection of mercury (II) ions from wastewater using fluorescent mesoporous materials: Theoretical and experimental insights
Microchemical Journal, cilt.218, 2025 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 218
- Basım Tarihi: 2025
- Doi Numarası: 10.1016/j.microc.2025.115563
- Dergi Adı: Microchemical Journal
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, Chimica, Index Islamicus
- Anahtar Kelimeler: Barbituric acid, Fluorescence spectroscopy, Hg2+, DFT, HOMO-LUMO, SBA-Pr-Is-MN-Bar
- Süleyman Demirel Üniversitesi Adresli: Evet
Özet
In this work, the synthesis of SBA-Pr-Cl involved the functionalization of mesoporous silica SBA-15 using (3-chloropropyl) triethoxysilane. This compound was then reacted with isatin malononitrile (Is-MN) to produce the final product, SBA-Pr-Is-MN, which was reacted with barbituric acid (H-Bar) to produce SBA-Pr-Is-MN-Bar. The presence of new functional groups was confirmed by FT-IR analysis, thermal stability by TGA, morphology and elemental composition determination by SEM and EDX, and finally surface area and porosity were determined by N2 adsorption-desorption, all of which confirmed the successful synthesis of SBA-Pr-Is-MN-Bar compound. Photoluminescence (PL) spectroscopy was performed to detect Hg2+ ions in water media among other ions and a good detection limit of 2.7 × 10−7 M was calculated. DFT calculations were utilized to explore the active sites of Pr-Is-MN-Bar for Hg2+ ions interactions to analyze the electronic properties of both Pr-Is-MN-Bar and its ion complex. Molecular electrostatic potential (MEP) and geometry optimization verified the potential site for interacting with Hg2+ ions. HOMO-LUMO and photo-induced electron transfer (PET) analysis were applied to investigate electron transfer and fluorescence quenching efficiency. This study further develops techniques for environmentally friendly sensing applications.