A novel high performance nano chemosensor for copper (II) ion based on an ultrasound-assisted synthesized diphenylamine-based Schiff base: Design, fabrication and density functional theory calculations

Abstract

A novel high selective colorimetric chemosensor was introduced based on a nano diphenyl-based Schiff base (HL), 2,2'-((1E,1'E)-(((hexylazanediyl)bis(4,1-phenylene))bis(methanylylidene))bis(azanylylidene))bis(4-methylphenol) that synthesized using sonochemical method. HL was characterized by FT-IR, MS, TGA, H NMR,C NMR, SEM and elemental analysis techniques, then fabricated as the portable strips for sensing copper (II) ions in aqueous media. The binding interaction between HL and various metal ions was investigated by UV-Vis spectroscopic that showed favorable coordination toward Cu ion. HL exhibited binding-induced color changes from yellow to pink and practically no interference in the presence of other metal ions, i.e., Cr, Mn, Fe, Co, Ni, Zn, Cd, Hg, Pb, Mg and Ca. The chemsensor showd the color change from yellow to pink in presence of copper (II) ion in aqueous media due to binging of HL and Cu (II). This sensor can determine the copper (II) at in the rang of 7.5 × 10-1.8 × 10 mol L with a correlation equation: Absorbance = 0.0450[Cu] × 10 + 0.71 and R = 0.975 and low detection limit of 1.89 × 10 mol L. Density functional theory (DFT) calculations were carried out at the B3LYP levels of theory with B3LYP/6-311+G(d,p) and LANL2DZ/6-311+G(d,p) basis sets for chemosensor and its copper complex respectively. The optimized geometry, harmonic vibrational frequencies, H NMR andC NMR chemical, Molecular orbital (M.O.), Mulliken population analysis (MPA), contour of Electrostatic Potential (ESP) and Molecular Electrostatic Potential (MEP) map of HL were calculated which show good agreement with behavior of sensor for detection of Cu ion.

The Cl Functionalized Aluminum Nitride (AlN) and Aluminum Phosphide (AlP) Nanocone Sheets as Hydrogen Selenide (H2Se) Sensor: a Density Functional Investigation

“…In this work, frequency calculations were done in order to confirm the structures were true minima. [43][44][45][46] In this work, adsorption energy (E ad ) and free energy (G ad ) amounts of H 2 Se molecule on considered AlN-NCSs and AlP-NCSs were obtained via equations 1 and 2, respectively: …”

“…The creation of unsaturated sites on Al, P and N atoms play main roles in gas adsorption and so AlN-NCS and AlP-N-CS can be gas sensors with the highest performance. [8][9][10][11][12] The adsorptions of toxic gases with various compounds to identify the suitable sensor are important works to solve the environmental problems. In previous studies, widely in chemical processes the various nanostructures because of their sensitivity and activity have been used and results have been shown that functionalization of na-nostructure can improvement the capability of nanostructures to detect toxic gases.…”

A new nano‐sized mononuclear Cu (II) complex with N,N‐donor Schiff base ligands: sonochemical synthesis, characterization, molecular modeling and biological activity

“…Copper element is the third abundant essential transition element in living organisms (for example; human, plants, and animals) which naturally exist in water, soil, sediment, rock and air . This element due to its participation in the biological process, like enzyme hydrolysis, electron transfer, is a good catalyst for redox reactions .…”

Possibility of C38 and Si19Ge19 Nanocages in Anode of Metal Ion Batteries: Computational Examination

“…The rechargeable batteries have been used in starter of car, consumer devices and battery reservoir center. [1][2][3][4][5][6] In lithium-ion battery (LIB) there are two processes; in charging process the lithium ions transferred from the positive to negative electrode and in discharge process the motion of lithium ions is the reverse of charge process. LIBs have high energy compression, high storage capacity, small memory effect and small self-evacuation.…”