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

İLHAN CEYLAN B., Bolukbasi O., YILMAZ A., Kaya K., KURT Y., ÜLKÜSEVEN B.

Polyhedron, cilt.193, 2021 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 193
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1016/j.poly.2020.114884
  • Dergi Adı: Polyhedron
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core
  • Anahtar Kelimeler: Pyridoxal, Thiosemicarbazone, Dioxomolybdenum(VI) complex, X-ray crystallography, DFT, TRANSITION-METAL-COMPLEXES, X-RAY, CIS-DIOXOMOLYBDENUM(VI) COMPLEXES, STRUCTURAL-CHARACTERIZATION, MOLYBDENUM(VI) COMPLEXES, CRYSTAL-STRUCTURE, LIGANDS, ONS, CYTOTOXICITY, COPPER(II)
  • İstanbul Üniversitesi-Cerrahpaşa Adresli: Evet

Özet

© 2020 Elsevier LtdThe 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.