Synthesis, Structural, Spectroscopic, Hirshfeld Surface Analysis and Computational Study of Copper Complex Containing Salicylaldimine Ligands

Alaman E., Agar A. A., Tahir M. N., Ashfaq M., Poyraz E. B., Dege N.

JOURNAL OF STRUCTURAL CHEMISTRY, cilt.64, sa.7, ss.1314-1328, 2023 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 64 Sayı: 7
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1134/s0022476623070156
  • Dergi Adı: JOURNAL OF STRUCTURAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Sayfa Sayıları: ss.1314-1328
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

Herein, a new Schiff base copper complex named as of bis{(E)-5-(diethylamino)-2-(((3-iodo-4-methylphenyl)imino)methyl)phenol}copper(II) (DIMP-Cu) is synthesized by the reaction of (E)-5-(diethylamino)-2-(((3-iodo-4-methylphenyl)imino)methyl)phenol with copper(II)acetate monohydrate in ethanol. The complex is characterized by FTIR, UV-visible, H-1 NMR and C-13 NMR. Moreover, the crystal structure is determined by single crystal X-rays diffraction analysis (SC-XRD) which showed that the coordination geometry around Cu-atom is distorted square planar. The supramolecular assembly is mainly stabilized by C-HMIDLINE HORIZONTAL ELLIPSISI bonding. The non-covalent interactions are further inspected by Hirshfeld surface analysis. Mechanical response of the crystal is predicted by void analysis. Computational study is carried out by using HF/3-21G electron density model in order to find the interaction energy between molecular pairs.