Employing of 2-Acetylpyridine Based Chalcone as Hg2+ Sensing Material: Experimental and Theoretical Examination

Yıl 2022, Cilt: 10 Sayı: 4, 2133 - 2143, 25.10.2022

Ahmad Badreddin Musatat , Alparslan Atahan , Mecit Aksu , Mustafa Zengin

Öz

This study reports the evaluation of 2-acetylpyridine based chalcone structure as a useful sensing material for Hg2+ ion detection by the means of UV-visible spectroscopy. In this context, firstly, the most common twenty metal ions were treated by the chalcone structure which was synthesized from 2-acetylpyridine and 4-diphenylaminobenzaldehyde according to the known procedures. As result, the studied chalcone compound exhibited good sensing activity towards Hg2+ ion in acetonitrile/water medium with significant red-shift phenomenon. In addition, some photophysical/electronic parameters of the chalcone and its Hg2+ complex were determined experimentally and theoretically. B3LYP, PBE0 methods and SVP, TVZP, and TVZPP basis sets were used for theoretical calculations in acetonitrile media. Finally, experimental results were explained and the proposed sensing mechanism was supported via density functional theory (DFT) outputs.

Anahtar Kelimeler

Chalcone, Sensors, UV/Vis Spectroscopy, Density functional theory

Teşekkür

The authors are thankful to Department of Chemistry of Düzce University and Department of Chemistry of Sakarya University for the laboratory facilities.

2-Asetilpiridin Bazlı Kalkonun Hg2+ Sensör Malzemesi Olarak Kullanılması: Deneysel ve Teorik İnceleme

Öz

Bu çalışma, Hg2+ iyonunun belirlenmesinde 2-asetilpiridin bazlı kalkon yapısının UV-görünür bölge spektroskopisi yardımıyla kullanışlı bir sensör malzemesi olarak değerlendirilmesini rapor etmektedir. Bu bağlamda, ilk olarak, en yaygın yirmi metal iyonu, bilinen reaksiyonlara göre 2-asetilpiridin ve 4-difenilaminobenzaldehitten sentezlenen kalkon yapısı ile etkileştirildi. Sonuç olarak, çalışılan kalkon bileşiği asetonitril/su ortamında önemli oranda kırmızıya kayarak Hg2+ iyonuna karşı oldukça iyi sensör aktivitesi gösterdi. Ayrıca, kalkonun ve onun Hg2+ kompleksinin bazı fotofiziksel/elektronik parametreleri deneysel ve teorik olarak belirlendi. Asetonitril ortamındaki teorik hesaplamalar için B3LYP, PBE0 metotları ile SVP, TVZP ve TVZPP temel setleri kullanıldı. En son olarak ise, deneysel sonuçlar açıklandı ve önerilen sensör mekanizması yoğunluk fonksiyon teorisi (DFT) çıktıları ile desteklendi.

Anahtar Kelimeler

Kalkon, Sensörler, UV/Vis Spektroskopisi, Yoğunluk fonksiyon teorisi

Kaynakça

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