Synthesis of a new Cd(II)–Ni(II) hetero-metallic coordination polymer base on citric acid ligand. X-ray structure, thermal stability, XPS and fluorescence studies

Mtioui-Sghaier, Olfa; Mendoza, Rafael; Fernández-Zapico, Eva; García-Granda, Santiago; Fernández‐González, Alfonso; Ktari, L.; Dammak, M.

doi:10.1016/j.molstruc.2015.10.028

Cited by 14 publications

(2 citation statements)

References 29 publications

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“…Finally, the investigated compound exhibits violet luminescence at an excitation wavelength of 280 nm. This description agrees well with a similar compound reported in literature …”

Section: Resultssupporting

confidence: 93%

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Single Crystal Investigations, Hirshfeld Surface Analysis, DFT Studies, Molecular Docking, Physico-Chemical Characterization, and Biological Activity of a Novel Non-Centrosymmetric Compound with a Copper Transition Metal Precursor

et al. 2023

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A novel organic−inorganic hybrid non-centrosymmetric superconductor material [2-ethylpiperazine tetrachlorocuprate(II)] has been synthesized and investigated by means of Fourier transform infrared spectroscopy, single-crystal Xray crystallography, thermal analyses, and density functional theory (DFT) studies. The single-crystal X-ray analysis indicates that the studied compound crystallizes in the P2 1 2 1 2 1 orthorhombic space group. Hirshfeld surface analyses have been used to investigate non-covalent interactions. Organic cations [C 6 H 16 N 2 ] 2+ and inorganic moieties [CuCl 4 ] 2− alternatively connect N−H•••Cl and C−H•••Cl hydrogen bonds. In addition, the energies of the frontier orbitals, highest occupied molecular orbital, lowest unoccupied molecular orbital, the reduced density gradient analyses and quantum theory of atoms in molecules analyses, and the natural bonding orbital are also studied. Furthermore, the optical absorption and photoluminescence properties were also explored. However, time-dependent/DFT computations were utilized to examine the photoluminescence and UV−vis absorption characteristics. Two different methods, 2, 2-diphenyl-1-picryhydrazyl radical and 2,2-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid radical scavenging, were used to evaluate the antioxidant activity of the studied material. Furthermore, the title material was docked to the SARS-CoV-2 variant (B.1.1.529) in silico to study the noncovalent interaction of the cuprate(II) complex with active amino acids in the spike protein.

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“…Finally, the investigated compound exhibits violet luminescence at an excitation wavelength of 280 nm. This description agrees well with a similar compound reported in literature …”

Section: Resultssupporting

confidence: 93%

“…This description agrees well with a similar compound reported in literature. 56 NBO Analyses. The NBO study of (C 6 H 16 N 2 )[CuCl 4 ] shows that both chlorine and nitrogen are highly electronegative, resulting in high polarization coefficients (Table S2).…”

Section: ■ Introductionmentioning

confidence: 99%