Chemistry of Tetradentate [C, N : C, N] Iminophosphorane Palladacycles: Preparation, Reactivity and Theoretical Calculations. Issue 11 (17th November 2020)

• Record Type: Journal Article
• Authors: Munín‐Cruz, Paula; Reigosa, Francisco; Rúa‐Sueiro, Marcos; Ortigueira, Juan M.; Pereira, M. Teresa; Vila, José M.
• Is Part Of: ChemistryOpen. Volume 9:Issue 11(2020)
• Page Start: 1190
• Page End: 1194
• Publication Date: 2020-11-17
• Subjects: palladium -- diphosphine -- azides -- iminophosphorane -- density functional theory; Chemistry -- Periodicals; 540; 540.5
• DOI: 10.1002/open.202000253
• Languages: English
• ISSNs: 2191-1363

Abstract

Abstract: A theoretical and experimental study of tetradentate [C, N : C, N] iminophosphorane palladacycles was carried out for the purpose of elucidating their behavior as compared to the parent Schiff base analogues to determine the prospect of encountering new A‐frame structures for the iminophosphorane derivatives. The DFT calculations were in agreement with the experimental results regarding the performance of these ligands. New insights into the chemistry of the related dinuclear species have been obtained. Abstract : The experimental evidence, together with the DFT theoretical calculations prove that the tetradentate [ C, N : C, N ] iminophosphorane ligands behaves differently compared with the analogous diimine substrates. The results obtained from NMR spectroscopy suggest the existence in solution of E and Z conformers for the dinuclear complexes bearing chelated diphosphane donors.