The effect of different counter-anions on two nonsymmetric salamo-type copper(II) complexes with different structures

Gan, Lu-Lu; Niu, Hao-Ying; Liu, Le-Le; Dong, Wen-Kui; Ding, Yu-Jie

doi:10.1016/j.molstruc.2024.137526

Cited by 55 publications

(1 citation statement)

References 71 publications

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“…The presence of these short-range interactions makes the formed complexes more stable. [50][51][52] Furthermore, some other interactions with a minor quantitative contribution to the crystal packing sustainability are noticed depending on the unit's structure. Their contributions in the complexes are given as follows 1:…”

Section: Hirshfeld Surface Analysis (Hsa)mentioning

confidence: 99%

Synthesis, Characterisation, Hirshfeld Surface Analysis, Magnetic Susceptibility, DFT Calculations, pkCSM Profile, and Biological Activities of Novel Mono‐, Di‐, and Multinuclear Cobalt (II) Complexes

Khaoua,

Mouffouk,

Benbellat

et al. 2024

Eur J Inorg Chem

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This study explores the synthesis and diverse properties of newly synthesised water‐soluble cobalt (II) complexes (1‐3). Analysis of the complexes through various methods, including Hirshfeld surface analysis, reveals distinctive intermolecular interactions, particularly robust H‐bonding contributions to crystal packing. 2D fingerprint plots provide quantitative insights into supramolecular interactions, while TGA‐DSC analysis elucidates multi‐step decomposition processes, mainly involving organic moieties. FT‐IR and SCXRD confirm the structures of the complexes. Magnetic susceptibility measurements show paramagnetic behaviour in all complexes. FMO calculations expose HOMO‐LUMO gaps and charge transfer processes, with NBO analysis emphasizing the significance of chloride, nitrogen, and oxygen atoms in coordination. In addition, pkCSM profile was carried out. The biological properties of the complexes reveal potent antibacterial activity for 2 and 3 against Gram‐positive and Gram‐negative bacteria. Despite lower antibacterial efficacy compared to standard antibiotics, their water solubility suggests potential human pharmacological applications. In terms of anti‐inflammatory activity, all three complexes exhibit concentration‐dependent prevention of ovalbumin denaturation, with 2 being the most effective. Compound 3, despite having seven carboxyl groups, exhibits the weakest anti‐inflammatory effect, potentially attributed to complex formation obscuring these groups. Furthermore, all complexes display antioxidant activities; 1 and 2 are greater than BHT in the ferric thiocyanate assay.

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Section: Hirshfeld Surface Analysis (Hsa)mentioning

confidence: 99%

Synthesis, Characterisation, Hirshfeld Surface Analysis, Magnetic Susceptibility, DFT Calculations, pkCSM Profile, and Biological Activities of Novel Mono‐, Di‐, and Multinuclear Cobalt (II) Complexes

Khaoua,

Mouffouk,

Benbellat

et al. 2024

Eur J Inorg Chem

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Structural, spectroscopic, fluorescent, and computational studies of binuclear copper (II) and zinc (II) complexes with an asymmetric salamo‐type ligand

Chai,

Li‐Tong,

Zhang

et al. 2024

Applied Organom Chemis

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Salamo‐type ligand H2L was designed and synthesized and reacted with Cu (II) and Zn (II) acetate, respectively, to obtain two binuclear Cu (II) and Zn (II) complexes: [Cu2(L)2]·2CH3OH (1) and [Zn2(L)2] (2) having the same coordination number but distinct geometries. Complex 1 is a Cu (II) complex containing two crystalline ethanol molecules, where two Cu (II) atoms are surrounded by two utterly deprotonated (L)2− parts, forming slightly twisted tetragonal pyramidal configurations of pentacoordinate. In complex 2, two utterly deprotonated (L)2− parts surround two Zn (II) atoms, forming pentadentate twisted triangular bipyramidal configurations. The complexes were elucidated via IR analyses and ultraviolet spectroscopy. Using DFT theoretical calculation, MEPs, IRI, and Hirshfeld surface analysis to investigate further the molecular interactions and reaction sites. Ultimately, the fluorescence characteristics of H2L and its complexes 1 and 2 were discussed.

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Anion‐Modulated Construction of Two Novel Tetra‐ and Hepta‐Nuclear Ni(II) Salamo‐Type Clusters: Comparison of the DFT Calculations and Weak Interaction Analyses

Zhang,

Zheng

et al. 2024

Applied Organom Chemis

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Two novel tetra‐ and hepta‐nuclear Ni(II) salamo‐type clusters, [Ni4(L)2(μ2‐Cl)2(μ3‐OH)2(EtOH)2]⋅4CH2Cl2 (1) and [Ni7(L)3(μ3‐OEt)2(μ3‐OH)6(EtOH)2] (2), were constructed by modulating different anions (Cl− and NO3−). X‐ray crystallographic researches revealed that cluster 1 is a tetranuclear cluster consisting of a symmetric binuclear structure in which chloride ions are involved in coordination. Although cluster 2 consists of seven Ni(II) ions, three deprotonated (L)2− parts, two μ3‐ethoxy groups, six μ3‐OH− anions, and two coordinated ethanol molecules, in which it is quite rare for a large number of water molecules to be deprotonated to participate in the bridging of the cluster due to the alkaline environment. TEM electron scanning displayed the distinct shapes. Comparison of DFT calculations revealed that cluster 2 is less chemically reactive and more kinetically stable, which is in accordance with the analytical results of weak interactions, where the stronger weak interaction forces were presented, the more stable the molecule is. Finally, a comparative analysis of UV–Vis, IR, and fluorescence spectra were carried out.

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The effect of different counter-anions on two nonsymmetric salamo-type copper(II) complexes with different structures

Cited by 55 publications

References 71 publications

Synthesis, Characterisation, Hirshfeld Surface Analysis, Magnetic Susceptibility, DFT Calculations, pkCSM Profile, and Biological Activities of Novel Mono‐, Di‐, and Multinuclear Cobalt (II) Complexes

Synthesis, Characterisation, Hirshfeld Surface Analysis, Magnetic Susceptibility, DFT Calculations, pkCSM Profile, and Biological Activities of Novel Mono‐, Di‐, and Multinuclear Cobalt (II) Complexes

Structural, spectroscopic, fluorescent, and computational studies of binuclear copper (II) and zinc (II) complexes with an asymmetric salamo‐type ligand

Anion‐Modulated Construction of Two Novel Tetra‐ and Hepta‐Nuclear Ni(II) Salamo‐Type Clusters: Comparison of the DFT Calculations and Weak Interaction Analyses

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