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Kolekcje
Inne
The influence of ancillary NCS− ions on structural, spectroscopic, magnetic and biological properties of copper(II) l-argininato complex
Autorzy
Rok wydania
2023
Czasopismo
Journal of Molecular Structure
Numer woluminu
1276
Strony
134776/1-134776/12
DOI
10.1016/j.molstruc.2022.134776
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The anions are one of the factors that govern the self-organization of the crystal structure involving [Cu(l−Arg)]2+ cation complex. Therefore, the crystals of hexa−coordinated l−argininato copper(II) complex with coordinated isothiocyanato ions, trans−[Cu(l−Arg)2(NCS)2]⋅2H2O (1), were synthesized and studied by X−ray structural analysis, spectroscopic techniques (FT−IR, Raman, X− and Q−band EPR, NIR−Vis−UV), magnetic and thermal methods. The distortion of elongated octahedron (T = 0.757) shows the static character. The complex presents a monomeric nature but the [Cu(l−Arg)2(NCS)2] units are bound via O‒H∙∙∙O, N‒H∙∙∙O and N‒H∙∙∙N hydrogen bonds forming two dimensional layers. One broad band with three well−marked maxima at 15,850 cm−1, 16,630 cm−1 and 17,500 cm−1 are generated by 2B1g(dx2-y2) → A1g(dz2), 2B2g(dxy) and 2Eg(dxz ≈ dyz) transitions. The values of g tensor components g⊥=gx=gy 2.056 (77 K) / 2.057 (298 K) agree well with the g⊥ found for other trans−N2O2 chromophore with two chelating l−Arg-ligands in copper(II) xy plane. The relation of gz (g||=2.245) >>gx=gy (g⊥= 2.056) > 2.0023 is characteristic for dx2-y2 orbital of unpaired electron ground state in the axial symmetry of copper(II) environment. The field induced slow magnetic relaxation is observed, despite the lack of the zero-field splitting of Cu(II) monomeric complex 1. Due to the labile character and the preference for distorted coordination geometries leading to plasticity of copper(II) coordination sphere, the comprehensive spectroscopic studies of the complexes arising in aqueous solutions when complex 1 was in aqueous solutions, were conducted (NIR−Vis−UV, EPR). The antimicrobial activity of 1 was evaluated against the yeast, dermatophyte and bacteria. Microsporum gypseum was the most sensitive strain, with a 4-time lower MIC comparing to the reference drug - Fluconazole.
Słowa kluczowe
Copper(II), l−Arginine, Isothiocyanate ions, Crystal structure, Spectroscopy (FT−IR, Raman, EPR, NIR−Vis−UV), Thermal properties, Magnetism, Solution studies
Adres publiczny
http://dx.doi.org/10.1016/j.molstruc.2022.134776
Strona internetowa wydawcy
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