Ozdemir, NamikTouj, NedraYasar, SedatHamdi, NaceurOzdemir, Ismail2024-08-042024-08-0420211542-14061563-5287https://doi.org/10.1080/15421406.2020.1848256https://hdl.handle.net/11616/99980Two palladium complexes bearing different ligands such as N-heterocyclic carbene (NHC), pyridine and phosphines were synthesized and characterized by FT-IR spectroscopy, X-ray crystallography and quantum-chemical computations. DFT calculations have been performed at HSEh1PBE/SDD level of theory. Intermolecular interactions have been studied through two-dimensional fingerprint plots based on Hirshfeld surface analysis. Structural parameters and spectroscopic properties of the complexes are well interpreted by DFT and TD-DFT calculations.eninfo:eu-repo/semantics/closedAccessDFTN-heterocyclic carbenePalladiumPEPPSI complexX-ray crystallographyArticle7141263610.1080/15421406.2020.18482562-s2.0-85107653991Q4WOS:000658893200004Q4