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
Predicting pKa
One of the most important physicochemical properties of small molecules and macromolecules are the...
Coupling stabilizers open KV1-type potassium channels
ABSTRACT: The opening and closing of voltage-gated ion channels are regulated by voltage sensors...
Responding to the Challenge Posed by the Generic Control of Substances
Drug monitoring organizations report that new psychoactive substances continue to emerge, posing...
Boost analytical experiments with phys-chem properties
Physicochemical properties have a fundamental impact on analytical experiment conditions,...