Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1243, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2021.130868
Keywords
Terpyridine; Pyrophosphate (PPi); Chemosensor; DFT
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A novel Zn(ll)-terpyridine complex was synthesized and used as a selective fluorescent probe for pyrophosphate P2O74- (PPi). The sensing mechanism and properties of the complex were studied through theoretical calculations.
A simple Zn(ll)-terpyridine complex was synthesized by the reaction of ZnCl2 with 4'-(3,4-dimethoxyphenyl)-2,2':6',2 ''-terpyridine ligand (DMTRP) in 1:1 ratio. The synthesized complex was treated as a selective fluorescent probe for pyrophosphate P2O74- (PPi) amongst other anions like F-, Cl-, Br-, I-, AcO-, CO32-, NO2-, SO32-, H2PO4-, HPO4- etc. A 1:3 binding stoichiometry was found from the job's plot analysis. Further to study the sensing mechanism of the complex, theoretical calculations were carried out. Also from theoretical parameters the reactivity, stability and charges of the terpyridine ligand with its zinc complex was calculated. (C) 2021 Elsevier B.V. All rights reserved.
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