Experimental Sensing and DFT Mechanism of Zn(II) Complex for Highly Sensitive and Selective Detection of Acetone

Musheer Ahmad,Khulud Abdullah Alshali,Abeer Beagan,Abdullah Alarifi,Naaser A. Y. Abduhd,Mohd. Muddassir,Abhinav Kumar,Mohd. Afzal,Mohammad Usman

doi:10.3390/cryst10040324

Abstract

In the present work, a new Zn(II) perchlorate complex with 2,2’–bipyridyl of formulation {[Zn(bipy)2(H2O)](ClO4)2} (1) was obtained and well analyzed. This chemosensor was evaluated as a selective sensor for acetone among the several different organic solvents(CH3OH, EtOH, i–PrOH, i–BuOH, CHCl3, CH2Cl2, CCl4, C6H6, C7H8, C8H10, C2H3N, C3H7NO, C4H8O2, C3H6O3) in a fluorescence turn–off response in accordance with theoretical calculations. Sensing experiments were performed at ambient temperature which shows the acetone molecule distinctly reduces transfer of energy barrier to complex 1 and hence, produces remarkable luminescent quenching. Also, the weak intermolecular hydrogen–bonding interactions thanks to the presence of various hydrogen bonding donors and acceptors, exist between ligand molecules, which were broken during fluorescence, resulting in quenching. The stoichiometry ratio and association constant were evaluated using Benesi–Hildebrand relation giving 1:1 stoichiometry between complex 1 and acetone. Additionally, DFT results can also explicate the significant response on complex 1 upon addition of acetone. This work is vital in a new loom for the detection of acetone and other ketones.

Highlights

Acetone is a toxic reagent found extensively in nature, and acetone poisoning can occur through various external modes, such as inhalation, ingestion or direct body contact to living creatures because of its easy volatilization and toxicity
To explore the potential applications of our synthesized Zn–based coordination complex in probing small organic molecules, we examined the outcome of organic solvents on the fluorescence of the complex 1
To explore the potential applications of our synthesized Zn–based coordination complex in probing small organic molecules, we examined the outcome of organic solvents on the fluorescence (λ ex = 295 nm)

Summary

Introduction

Acetone is a toxic reagent found extensively in nature, and acetone poisoning can occur through various external modes, such as inhalation, ingestion or direct body contact to living creatures because of its easy volatilization and toxicity. It is mostly harmful to the central nervous system’s overall health. This harmful chemical affects both cardiovascular and digestive health. Acetone is highly toxic to the respiratory tract and the urinary system [1]. Acetone is predicted to stay mainly in the environmental compartment to which it is released. This is true when acetone is released into water (more than 99% is predicted to remain in water). Supramolecular interactions play a critical task in the structural role of many molecules. It is well established that the important purposes of coordination complexes in comprising supramolecular interactions have become a wide area of Crystals 2020, 10, 324; doi:10.3390/cryst10040324 www.mdpi.com/journal/crystals

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Conclusion