AN IMIDAZOLIDIN-2-YLIDENE-BASED Pd-PEPPSI COMPLEX: AN EXPERIMENTAL AND THEORETICAL APPROACH

Özdemir N., Kaloğlu M., Özdemir İ.

JOURNAL OF STRUCTURAL CHEMISTRY, vol.64, no.11, pp.2120-2129, 2023 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 64 Issue: 11
  • Publication Date: 2023
  • Doi Number: 10.1134/s0022476623110094
  • Journal Name: JOURNAL OF STRUCTURAL CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Page Numbers: pp.2120-2129
  • Ondokuz Mayıs University Affiliated: Yes

Abstract

A PEPPSI-type imidazolidin-2-ylidene-based palladium(II) complex was prepared according to literature. Detail molecular structure of this complex has been confirmed by X-ray diffraction analysis and supplemented by theoretical calculations. Also, electronic properties of the complex were investigated by UV-Vis spectroscopy. The complex under scrutiny was found to adopt a trans arrangement with square-planar geometry. Furthermore, theoretical structure and spectroscopic data were obtained using density functional theory (DFT/HSEH1PBE) method and SDD basis set, and compared with the experimental data. In general, the theoretical findings were in line with the experimental outcomes.