NHC based Pd-PEPPSI complexes: synthesis, computational studies and application for Suzuki and direct arylation reactions
Nour-Elhouda Belazghem·İsmail Özdemir·Namık Özdemir·İlkay Yıldırım·Öznur Doğan Ulu·Sümeyya Serin·Khaled Sekkoum
Abstract A series of novel air- and moisture-resistant NHC-based pyridine containing palladium PEPPSI-type Pd(II) complexes ( 2a-e ) were synthesized and characterized. The structures of all synthesized complexes were determined by various spectroscopic techniques. In addition, the structure of 2b was elucidated by single X-ray crystallography. The structural and electronic properties of 2a-e were further investigated using DFT calculations, which provided valuable insights into thermodynamic pa