期刊
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
卷 236, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2020.118329
关键词
Acyl hydrazones; Chemosensors; Anion recognition; Fluoride sensing; Time dependent density functional Theory (TDDFT)
类别
In this work, we report the synthesis of two receptors for fluoride ions based on acyl hydrazone, such as N'-[(1Z)-1-(4-fluorophenyl)ethylidene]benzohydrazide (R1) and N'-[(1Z)-1-(2-hydroxyphenyl)ethylidene] benzohydrazide (R2). The receptors R1 and R2 were synthesized from the corresponding ketones and benzoic acid hydrazide and characterized spectroscopically by UV-visible, IR and (HNMR)-H-1 techniques. The response of R1 and R2 towards different anions was studied colourimetrically in acetonitrile. The receptors exhibited a specific response towards fluoride ions. Further studies of 1:1 composition of receptors, R1/R2:fluoride ions by different spectroscopic techniques such as UV-Visible, IR and (HNMR)-H-1 spectroscopy indicated the participation of -NH proton of the receptors in the sensing action through the hydrogen bonding. To understand the mechanism, Time-Dependent Density Functional Theory (TD-DFT) studies were done using the CAM-B3LYP/6311G++ (3df,2p) with Grimme's D3BJ empirical dispersion basis set. The studies supported the role of hydrogen bonding interaction of -NH and-OH protons of the receptors with the fluoride ions. (C) 2020 Elsevier B.V. All rights reserved.
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