Tailored Silica-Based Sensors (SBA-Pr-Ald-MA) for Efficient Detection of Iron (III) Ions: A Comprehensive Theoretical and Experimental Viewpoint

IF 3.7 2区化学 Q2 CHEMISTRY, APPLIED

Applied Organometallic Chemistry Pub Date : 2024-12-10 DOI:10.1002/aoc.7917

Ghodsi Mohammadi Ziarani, Dorsa Ebrahimi, Mehran Feizi-Dehnayebi, Alireza Badiei, Ahmed M. Abu-Dief

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Abstract

The synthesis and characterization of SBA-Pr-Ald-MA as a modified mesoporous silica material made from SBA-15 are presented in this work. Meldrum's acid (MA), 2-chloroquinoline-3-carbaldehyde, and 3-(chloropropyl)-trimethoxysilane were used to functionalize the SBA-15. The detection limit of 7.80 × 10⁻⁸ M for SBA-Pr-Ald-MA demonstrated its exceptional selectivity toward Fe³⁺ ions. Density functional theory (DFT) calculations were conducted using B3LYP/6-311g(d,p)/LANL2DZ to investigate the molecular electrostatic potential (MEP), geometry optimization, molecular orbital analysis, quantum chemical descriptors, and photoinduced electron transfer (PET). Geometry optimization and the MEP diagram verified the mechanism of the interaction obtained from experimental results. PET analysis indicated that the electrons transition to the LUMO of the Pr-Ald-MA + Fe³⁺ complex, leading to maximum fluorescence quenching efficiency. Future research could explore the sensor's application in real-world environmental monitoring systems and extend its application to detect other hazardous metal ions.

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来源期刊

Applied Organometallic Chemistry 化学-无机化学与核化学

CiteScore

7.80

自引率

10.30%

发文量

408

审稿时长

2.2 months

期刊介绍： All new compounds should be satisfactorily identified and proof of their structure given according to generally accepted standards. Structural reports, such as papers exclusively dealing with synthesis and characterization, analytical techniques, or X-ray diffraction studies of metal-organic or organometallic compounds will not be considered. The editors reserve the right to refuse without peer review any manuscript that does not comply with the aims and scope of the journal. Applied Organometallic Chemistry publishes Full Papers, Reviews, Mini Reviews and Communications of scientific research in all areas of organometallic and metal-organic chemistry involving main group metals, transition metals, lanthanides and actinides. All contributions should contain an explicit application of novel compounds, for instance in materials science, nano science, catalysis, chemical vapour deposition, metal-mediated organic synthesis, polymers, bio-organometallics, metallo-therapy, metallo-diagnostics and medicine. Reviews of books covering aspects of the fields of focus are also published.