dc.contributor.author | Purtas, Fatih | |
dc.contributor.author | Sayin, Koray | |
dc.contributor.author | Ceyhan, Gokhan | |
dc.contributor.author | Kose, Muhammet | |
dc.contributor.author | Kurtoglu, Mukerrem | |
dc.date.accessioned | 2019-07-27T12:10:23Z | |
dc.date.accessioned | 2019-07-28T09:40:58Z | |
dc.date.available | 2019-07-27T12:10:23Z | |
dc.date.available | 2019-07-28T09:40:58Z | |
dc.date.issued | 2017 | |
dc.identifier.issn | 0022-2860 | |
dc.identifier.issn | 1872-8014 | |
dc.identifier.uri | https://dx.doi.org/10.1016/j.molstruc.2017.02.065 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12418/6746 | |
dc.description | WOS: 000398870900050 | en_US |
dc.description.abstract | A new Schiff base containing azo chromophore group obtained by condensation of 2-hydroxy-4-[(E)phenyldiazenyl]benzaldehyde with 3,4-dimethylaniline (HL) are used for the syntheses of new copper(II) and zinc(II) chelates, [Cu(L)(2)], and [Zn(L)(2)], and characterized by physico-chemical and spectroscopic methods such as H-1 and C-13 NMR, IR, UV. Vis. and elemental analyses. The solid state structure of the ligand was characterized by single crystal X-ray diffraction study. X-ray diffraction data was then used to calculate the harmonic oscillator model of aromaticity (HOMA) indexes for the rings so as to investigate of enol-imine and keto-amine tautomeric forms in the solid state. The phenol ring C10-C15 shows a considerable deviation from the aromaticity with HOMA value of 0.837 suggesting the shift towards the keto-amine tautomeric form in the solid state. The analytical data show that the metal to ligand ratio in the chelates was found to be 1:2. Theoretical calculations of the possible isomers of the ligand and two metal complexes are performed by using B3LYP method. Electrochemical and photoluminescence properties of the synthesized azo-Schiff bases were also investigated. (C) 2017 Elsevier B.V. All rights reserved. | en_US |
dc.description.sponsorship | KSU Scientific Research Unity [2013/2-33D] | en_US |
dc.description.sponsorship | This work was supported by the KSU Scientific Research Unity (Project No: 2013/2-33D). The numerical calculations reported in this paper are performed at TUBITAK ULAKBIM, High Performance and Grid Computing Centre (TRUBA Resources). The authors also acknowledge Scientific and Technological Research Application and Research Centre, Sinop University, Turkey, for the X-ray data collection. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | ELSEVIER SCIENCE BV | en_US |
dc.relation.isversionof | 10.1016/j.molstruc.2017.02.065 | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Azo-Schiff base | en_US |
dc.subject | X-ray | en_US |
dc.subject | Computational analyses | en_US |
dc.subject | Photoluminescence | en_US |
dc.subject | Electrochemistry | en_US |
dc.title | New fluorescent azo-Schiff base Cu(II) and Zn(II) metal chelates; spectral, structural, electrochemical, photoluminescence and computational studies | en_US |
dc.type | article | en_US |
dc.relation.journal | JOURNAL OF MOLECULAR STRUCTURE | en_US |
dc.contributor.department | [Purtas, Fatih -- Kose, Muhammet -- Kurtoglu, Mukerrem] Kahramanmars Sutcu Imam Univ, Dept Chem, TR-46050 Kahramanmaras, Turkey -- [Sayin, Koray] Cumhuriyet Univ, Inst Sci, Dept Chem, TR-58140 Sivas, Turkey -- [Ceyhan, Gokhan] Kahramanmaras Sutcu Imam Univ, USKIM, TR-46050 Kahramanmaras, Turkey | en_US |
dc.contributor.authorID | Kose, Muhammet -- 0000-0002-4597-0858 | en_US |
dc.identifier.volume | 1137 | en_US |
dc.identifier.endpage | 475 | en_US |
dc.identifier.startpage | 461 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |