Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Spectroscopic and TDDFT investigation of highly selective fluoride sensors by substituted acyl hydrazones Subject The topic of the resource Acyl hydrazones; Anion recognition; Chemosensors; Fluoride sensing; Theory (TDDFT); Time dependent density functional Description An account of the resource 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 UVvisible, IR and 1HNMR 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 UVVisible, IR and 1HNMR 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. 2020 Elsevier B.V. Creator An entity primarily responsible for making the resource John A.M.; Jose J.; Thomas R.; Thomas K.J.; Balakrishnan S.P. Source A related resource from which the described resource is derived Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol-236 Publisher An entity responsible for making the resource available Elsevier B.V. Date A point or period of time associated with an event in the lifecycle of the resource 2020-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1016/j.saa.2020.118329" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.saa.2020.118329</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85083028106&amp;doi=10.1016%2Fj.saa.2020.118329&amp;partnerID=40&amp;md5=35d8ac7cd9472f0151d0f42a472ee54d" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85083028106&amp;doi=10.1016%2fj.saa.2020.118329&amp;partnerID=40&amp;md5=35d8ac7cd9472f0151d0f42a472ee54d</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 13861425; PubMed ID: 32299039; CODEN: SAMCA Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant John A.M., Department of Chemistry, CHRIST (Deemed to be University), Bangalore, 560029, Karnataka, India; Jose J., Department of Chemistry, CHRIST (Deemed to be University), Bangalore, 560029, Karnataka, India; Thomas R., Department of Chemistry, St. Berchmans College (Autonomous), Changanassery, 686101, Kerala, India; Thomas K.J., Department of Chemistry, CHRIST (Deemed to be University), Bangalore, 560029, Karnataka, India; Balakrishnan S.P., Department of Chemistry, CHRIST (Deemed to be University), Bangalore, 560029, Karnataka, India