Isatin-based chemosensor for CN− ions detection: A hybrid theoretical-experimental model
Inorganic Chemistry Communications, cilt.183, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 183
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.inoche.2025.115868
- Dergi Adı: Inorganic Chemistry Communications
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, DIALNET
- Anahtar Kelimeler: Chemosensors, CN− ions, Fluorescence spectroscopy, DFT, real sample, Isatin
- Süleyman Demirel Üniversitesi Adresli: Evet
Özet
In this study, a chemosensor based on isatin through the three-component reaction was synthesized for the detection of CN− ions, which showed high selectivity and a detection limit of 1.8 × 10−7 M in EtOH. CN− ion is considered a dangerous pollutant due to its high toxicity and its ability to cause severe damage to human health and the environment. This ion, which enters the environment through various industrial activities, can rapidly threaten the life of living organisms by disrupting cellular respiration. Therefore, accurate and rapid detection of CN− ions is of vital importance for monitoring air and water quality and maintaining public health. Among the available methods, the fluorescence method stands out as a powerful tool. Consequently, the synthesis of an efficient chemosensor capable of detecting hazardous CN− ions via fluorescence is a crucial step toward ensuring environmental safety and human health. DFT calculation at the B3LYP/6–311++g (2d,2p) level was performed to elucidate the binding mechanism and electronic interactions between compound 4 and CN−. Real-sample analyses in tap and well water demonstrated excellent recoveries (98–103 %) and low relative standard deviations (<6 %), confirming the sensor's accuracy, precision, and robustness in complex matrices. The combined experimental and theoretical results establish compound 4 as a reliable and efficient platform for the sensitive detection of cyanide ions in environmental water samples.