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

Simple item page
dc.contributor.authorAmani Direm
dc.date.accessioned2024-02-14T18:39:23Z
dc.date.available2024-02-14T18:39:23Z
dc.date.issued2018-03-30
dc.description.abstractNovel mixed-ligand coordination frameworks, occurring concomitantly namely [Cu(Im)3(H2Cit)] (1) and [Cu(Im)2(HCit)] HIm (2) (with Im = imidazole and H4Cit = citric acid) were obtained as a result of the onepot 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 O, N–H O and C–H O H-bonds together with the p 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, 1H NMR, 13C 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.
dc.identifier.urihttp://dspace.univ-khenchela.dz:4000/handle/123456789/996
dc.language.isoen
dc.titleSev 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
dc.title.alternativeSev 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
dc.typeArticle
Files
Original bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
Direm2018_1-s2.0-S0020169317318327-main.pdf
Size:
3.5 MB
Format:
Adobe Portable Document Format
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed to upon submission
Description:
Download
Collections
scientific publication