Electronic contribution of ligands and metal in palladium and palladium-tin bimetallic complexes: A comparative study of reactivity descriptors using different ligands

Abstract

The study of reactivity descriptors at the global and local levels provides valuable insights into the electronic properties of transition metal catalysts. This study focuses on the understanding of global and local reactivity descriptors of various palladium and palladium-tin bimetallic complexes using different ligands. A comparative analysis of the electronic contribution of three different ligands such as cyclooctadiene (COD), triphenylphosphine (PPh3), and N-heterocyclic carbene (NHC) in these complexes was undertaken. The changes in the electronic parameters were observed for the corresponding bimetallic complexes containing tin as the second metal partner.