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

1
Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
2
Department of Chemistry, IIT Kanpur, Uttar Pradesh 208016, India
3
Department of Chemistry, Faculty of Science, University of Lucknow, Lucknow 226 007, India
4
Department of Applied Chemistry, Aligarh Muslim University, Aligarh 202002, India
*
Authors to whom correspondence should be addressed.
Crystals 2020, 10(4), 324; https://doi.org/10.3390/cryst10040324
Received: 4 March 2020 / Revised: 5 April 2020 / Accepted: 15 April 2020 / Published: 20 April 2020
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. View Full-Text
Keywords: X–ray crystallography; H–bonding; Acetone; Fluorescence Sensing; DFT X–ray crystallography; H–bonding; Acetone; Fluorescence Sensing; DFT
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Muddassir, M.; Usman, M.; Alarifi, A.; Afzal, M.; Abdullah Alshali, K.; Beagan, A.; Kumar, A.; Abduhd, N.A.Y.; Ahmad, M. Experimental Sensing and DFT Mechanism of Zn(II) Complex for Highly Sensitive and Selective Detection of Acetone. Crystals 2020, 10, 324.

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