An Imidazolidin-2 Pd-Peppsi Complex: An Experimental and Theoretical Approach

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.