Structural and theoretical insights into the influence of thiocyanate ligands on divalent metal complexes with terpyridine derivatives
Küçük Resim Yok
Tarih
2025
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier B.V.
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Four complexes with terpyridine derivative, thiocyanate anion, and selected d-electron metals were studied. The obtained complexes of the formulation [M(ftpy)(SCN)2(CH3OH)]•DMF (M = Mn (1), Co (2), Ni (3)) and [Cu(ftpy)(NCS)2]•H2O (4), where ftpy = 4′‐(furan-2-yl)-2,2′:6′,2′′‐terpyridine, were characterized using FTIR and UV–Vis spectroscopies, magnetic studies, elemental analysis, and single crystal X-ray crystallography. All compounds crystallize in a triclinic crystal system with space group P1¯ and 1–3 are isomorphous and isostructural. The effect of the modification of the terpyridine ligand and the presence of the thiocyanate ligand on the structure has been verified. Interesting dependence was found in the structure of compound 4, where the two thiocyanate ligands are differently coordinated, one via N and the other via S, and the formation of complex dimers connected through hydrogen bonds is observed. The π-stacking interactions and the resulting solid-state architectures of compounds 1–4 were inspected through a combination of DFT calculations, QTAIM, and NCIPlot analyses, and the stability of the complexes was studied by UV–Vis spectroscopy in various solvents. © 2024 The Author(s)
Açıklama
Anahtar Kelimeler
Crystal Structure, DFT Studies, Optical Spectroscopy, Terpyridine-Metal Complex, Thiocyanate
Kaynak
Journal of Molecular Structure
WoS Q Değeri
Scopus Q Değeri
Q1
Cilt
1322
Sayı
Künye
Bogdał, W., Jurowska, A., Hodorowicz, M., Szklarzewicz, J., Mahmoudi, G., Doustkhah, E., ... & Frontera, A. (2025). Structural and theoretical insights into the influence of thiocyanate ligands on divalent metal complexes with terpyridine derivatives. Journal of Molecular Structure, 1322, 140459.
