Synthesis and theoretical investigation of a new Hg2+ chemosensor based nanomagnetic particle (Fe3O4@SiO2@Pr‑NCIM)
Materials Research Bulletin, cilt.183, 2025 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 183
- Basım Tarihi: 2025
- Doi Numarası: 10.1016/j.materresbull.2024.113200
- Dergi Adı: Materials Research Bulletin
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex, INSPEC
- Anahtar Kelimeler: Chemosensor, DFT, Fe3O4@SiO2@Pr‑NCIM, Hg2+ ion, HOMO-LUMO, Nanoparticles
- Süleyman Demirel Üniversitesi Adresli: Evet
Özet
In this study, the synthesis of a new Hg2+ chemosensor-based nanomagnetic particle (Fe3O4@SiO2@Pr-NCIM) was investigated via coating the Fe3O4 magnetic nanoparticles (MNPs) with SiO2, 3-Aminopropyltriethoxysilan (APTES), and Imidazole-2-Carbaldehyde, respectively, and then it was characterized through the different analyses, including FT-IR, SEM, EDX, and VSM. The fluorescence properties of the Fe3O4@SiO2@Pr-NCIM were studied in the presence of various cations in EtOH as a green solvent. The obtained results showed that it can be utilized as a new chemosensor with high sensitivity and selectivity for Hg2+ ion. In addition, the impressive limit of detection (LOD) of 4.03 × 10–6 for the Hg2+ ion demonstrated the acceptable linear relation between Hg2+ concentration and the fluorescence intensity of the synthesized Fe3O4@SiO2@Pr-NCIM structure. Utilizing the B3LYP/6–311g (d,p)/LANL2DZ method, DFT calculations were conducted, encompassing MEP map, geometry optimization, HOMO-LUMO, and the evaluation of quantum descriptors. The experimental mechanism of interaction between the ligand and Hg2+ is confirmed by the DFT calculation.