Ultrasonic assisted synthesis of Zn(II) 2D coordination polymer and 4-nitroaniline photoluminescence sensing manifestation through DFT studies
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Tarih
2022
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Taylor & Francis Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Zinc(II) 2 D polymer, [Zn(3,5-Pydc)(0.5)center dot H2O](n) (1) {3,5-Pydc = pyridine-3,5-dicarboxylate anion}, has been prepared under sonication conditions. The natural bond orbital (NBO) analysis revealed that charge transfer transitions in the vicinity of Zn(II) is accompanied with the highest stabilization energy of 140.13 kcal/mol. Furthermore, molecular electrostatic potential (MEP) analysis has been carried out to identify the reactive sites over the surface of the complex. 1 was characterized by elemental analysis, FTIR spectroscopy, thermal analysis and single crystal X-ray diffraction. The metal-based luminescence properties revealed that 1 can be used as selective chemosensor against 4-nitroaniline. Complex 1 showed excellent quenching efficiency of 98.9% with K-SV value of 3.7 x 10(5) M-1. Density functional theory simulations complement to the specific luminescence quenching of 1 against 4-nitroaniline.
Açıklama
Anahtar Kelimeler
Ultrasonic, zinc 2D polymer, photoluminescence quenching, DFT studies
Kaynak
Journal of Coordination Chemistry
WoS Q Değeri
Q3
Scopus Q Değeri
Q3
Cilt
75
Sayı
3-4
