Experimental Sensing and DFT Mechanism of Zn(II) Complex for Highly Sensitive and Selective Detection of Acetone
Ahmad, Mohd. Muddassir 1,*, Mohammad Usman 2, Abdullah Alarifi 1, Mohd. Afzal 1, Khulud Abdullah Alshali 1, Abeer Beagan 1 , Abhinav Kumar 3, Naaser A. Y. Abduhd 1 and Musheer . 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 di erent organic solvents(CH3OH, EtOH, i–PrOH,
i–BuOH, CHCl3, CH2Cl2, CCl4, C6H6, C7H8, C8H10, C2H3N, C3H7NO, C4H8O2, C3H6O3) in a
fluorescence turn–o 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
In this study, Cu2+ perchlorate complexes of 3,5-dimetylpyrazole(dmpy), namely
[Cu(dmpy)3(H2O)2](H2O)(ClO4)2 (1), were prepared and characterized by X-ray diffraction (XRD),
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