dc.contributor.author | Direm, Amani | |
dc.contributor.author | Abdelbaky, Mohammed S. M. | |
dc.contributor.author | Sayin, Koray | |
dc.contributor.author | Cornia, Andrea | |
dc.contributor.author | Abosede, Olufunso | |
dc.contributor.author | Garcia-Granda, Santiago | |
dc.date.accessioned | 2019-07-27T12:10:23Z | |
dc.date.accessioned | 2019-07-28T09:38:09Z | |
dc.date.available | 2019-07-27T12:10:23Z | |
dc.date.available | 2019-07-28T09:38:09Z | |
dc.date.issued | 2018 | |
dc.identifier.issn | 0020-1693 | |
dc.identifier.issn | 1873-3255 | |
dc.identifier.uri | https://dx.doi.org/10.1016/j.ica.2018.03.011 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12418/6274 | |
dc.description | WOS: 000430989200009 | en_US |
dc.description.abstract | Novel mixed-ligand coordination frameworks, occurring concomitantly namely [Cu(Im)(3)(H(2)Cit)] (1) and [Cu(Im)(2)(HCit)]center dot HIm (2) (with Im = imidazole and H(4)Cit = citric acid) were obtained as a result of the one-pot reaction between imidazole, citric acid and copper chloride. The complexes were structurally characterized by elemental analysis, FTIR spectroscopy and X-ray diffraction. The two structures were found to be connected through 3D hydrogen-bonding networks examined by means of the Hirshfeld surface analysis which highlighted the presence of O-H center dot center dot center dot O, N-H center dot center dot center dot O and C-H center dot center dot center dot O H-bonds together with the pi center dot center dot center dot lp interactions. A topological analysis of the underlying nets corresponding to the two hydrogen-bonded frameworks was carried out. Moreover, quantum chemical calculations were performed using the HF method with 6-31G(d) and LANL2DZ levels in the gas phase, and therefore the optimized structures, the IR, H-1 NMR, C-13 NMR spectra and the electronic structure descriptors were examined in detail. Furthermore, the magnetic properties of (1) and (2) were also investigated. The complexes showed remarkable antimicrobial and antifungal inhibition activities. (C) 2018 Elsevier B.V. All rights reserved. | en_US |
dc.description.sponsorship | Universite Abbes Laghrour Khenchela (Algeria); TUBITAK ULAKBIM; High Performance and Grid Computing Center (TRUBA Resources, Turkey); Spanish MINECO [MAT2016-78155-C2-1-R]; FPI grant [BES-2011-046948]; Gobierno del Principado de Asturias [GRUPIN14-060]; FEDER | en_US |
dc.description.sponsorship | The financial support from Universite Abbes Laghrour Khenchela (Algeria), TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA Resources, Turkey), Spanish MINECO MAT2016-78155-C2-1-R, FPI grant BES-2011-046948 to MSM.A., Gobierno del Principado de Asturias (GRUPIN14-060) and FEDER are acknowledged. A.D. gratefully acknowledges Pr. A. Djelloul and Pr. A. Boumaza (University of Khenchela) for the FTIR measurements. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | ELSEVIER SCIENCE SA | en_US |
dc.relation.isversionof | 10.1016/j.ica.2018.03.011 | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Coordination networks | en_US |
dc.subject | Imidazole-based copper complexes | en_US |
dc.subject | One-pot synthesis | en_US |
dc.subject | Crystal structure | en_US |
dc.subject | Hirshfeldsurface analysis | en_US |
dc.subject | Topological analysis | en_US |
dc.subject | Ab-initio calculations | en_US |
dc.subject | Magnetic properties | en_US |
dc.subject | Biological properties | en_US |
dc.title | Sev and pcu topological nets in one-pot newly synthesized mixed-ligand imidazole-containing Cu(II) coordination frameworks: Crystal structure, intermolecular interactions, theoretical calculations, magnetic behavior and biological activity | en_US |
dc.type | article | en_US |
dc.relation.journal | INORGANICA CHIMICA ACTA | en_US |
dc.contributor.department | [Direm, Amani] Univ Abbes Laghrour, Fac Sci & Technol, Dept Sci Mat, Lab Struct Proprietes & Interact Interat LASPI2A, Khenchela 40000, Algeria -- [Abdelbaky, Mohammed S. M. -- Garcia-Granda, Santiago] Univ Oviedo CINN, Dept Quim Fis & Analit, Oviedo 33006, Spain -- [Sayin, Koray] Cumhuriyet Univ, Fac Sci, Dept Chem, TR-58140 Sivas, Turkey -- [Cornia, Andrea] Univ Modena & Reggio Emilia, Dipartimento Sci Chim & Geol, Via G Campi 103, I-41125 Modena, Italy -- [Cornia, Andrea] INSTM, Via G Campi 103, I-41125 Modena, Italy -- [Abosede, Olufunso] Fed Univ Otuoke, Dept Chem, PMP 126, Yenagoa, Bayelsa State, Nigeria | en_US |
dc.contributor.authorID | DIREM, Amani -- 0000-0002-6347-9173 | en_US |
dc.identifier.volume | 478 | en_US |
dc.identifier.endpage | 70 | en_US |
dc.identifier.startpage | 59 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |