Experimental and theoretical vibrational spectroscopic, quantum chemical analysis, and electronic properties investigations of novel ruthenium complexes (RuLCl2·2H2O; L: 4,4´-Dimethoxy-2,2´-Bipyridine, 4,4´-Dimethyl-2,2´-Bipyridine)

Alp M., YURDAKUL Ş.

Polyhedron, cilt.234, 2023 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 234
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1016/j.poly.2023.116322
  • Dergi Adı: Polyhedron
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core
  • Anahtar Kelimeler: 4,4´-Dimethoxy-2,2´-Bipyridine, 4,4´-Dimethyl-2,2´-Bipyridine, Organic Ruthenium Complexes, Quantum mechanical calculation, Vibrational spectra
  • Gazi Üniversitesi Adresli: Evet

Özet

© 2023The synthesis of some novel ruthenium compounds [RuLCl2·2H2O] {L = 4,4´-Dimethoxy-2,2´-Bipyridine; 4,4´-Dimethyl-2,2´-Bipyridine} were achieved. In the present work, The new complexes are characterized by IR and UV–Visible spectroscopy and elemental analysis. The spectroscopic analysis of a possible compound that we have formed has been made for the first time in the literature. In addition to the experimental work, the molecules were examined by the theoretical DFT method. We obtained the structural, vibrational, thermodynamic, and electronic properties of the two complexes. In the DFT calculations, the B3LYP functional with two basis sets was applied to carry out the quantum mechanical calculations. As a result of the examinations, the binding properties of the compounds were determined. It was also observed that the compounds provide electron conduction in the visible region.