Synthesis, spectroscopic characterization and quantum chemical studies of a dioxomolybdenum(VI) complex with an N,S-substituted pyridoxal thiosemicarbazone

Berat İlhan-Ceylan, Olcay Bolukbasi, Ayberk Yilmaz, Kerem Kaya, Yasemin Kurt*, Bahri Ülküseven

*Bu çalışma için yazışmadan sorumlu yazar

Araştırma sonucu: Dergiye katkıMakalebilirkişi

5 Atıf (Scopus)

Özet

The new compounds Pyridoxal N-allyl-S-methylthiosemicarbazone (L) and the dioxomolybdenum(VI) complex [MoO2(L)CH3OH] have been synthesized and characterized by elemental analysis, UV–Vis, FT-IR, Raman and 1H NMR spectra, and also by the single crystal X-ray diffraction technique. Single crystals of the cis-dioxomolybdenum(VI) complex were obtained by evaporating its methanol solution. According to the single-crystal X-ray diffraction investigation, the molybdenum atom in the complex is in a distorted octahedral coordination. The sixth coordination site is occupied by the oxygen atom of a methanol solvent molecule. The methanol coordination between the oxygen and molybdenum atoms is the weakest bond, with a Mo[sbnd]O bond length of 2.355 Å. The geometries and vibrational spectra of the pyridoxal thiosemicarbazone (L) and its complex are explained by quantum chemical calculations.

Orijinal dilİngilizce
Makale numarası114884
DergiPolyhedron
Hacim193
DOI'lar
Yayın durumuYayınlandı - 1 Oca 2021

Bibliyografik not

Publisher Copyright:
© 2020 Elsevier Ltd

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