Synthesis, structural, spectroscopic and DFT study on a palladium(II)- N-heterocyclic carbene complex
A new palladium complex with N-heterocyclic carbene (NHC) and phosphine ligands was prepared and fully characterized by 1 H NMR, 13C NMR and 31P NMR spectroscopies, IR spectroscopy, and X-ray crystallography. The solid-state structure of the complex shows that the metal centre was surrounded by an N-heterocyclic carbene ligand, a phosphorus atom and two bromide ions in a cis-arrangement. Density functional theory (DFT) calculations at the B3LYP/SDD level were also executed for the further explorations of the spectroscopic and structural properties. The obtained theoretical parameters adequately support the experimental findings in general.
Related content
Scientific Software in Light of the European Accessibility Act
Copy and paste, click and go, swipe right, drag and drop – these computer UI actions are so...
How to Marvin: UI Overview
Learn the logic behind Marvin's user interface from this episode of the How to Marvin video series.
How to Marvin: Chemical Naming
Learn how you can generate and convert chemical names from this episode of the How to Marvin video...
How to Marvin: Search Bar
Learn about the different uses of Marvin's search bar from this episode of the How to Marvin video...