The hydrogenation of enamides catalysed by rhodium complexes of monodentate phosphorous ligands has been studied by density functional theory. The role of trans intermediates, made accessible by the non-chelating nature of the ligand, has been taken into account. The findings here reported show that cis intermediates play the major role in the mechanism of the reaction, suggesting that data obtained with chiral monodentate phosphorous ligands or with a mixture of them should be interpreted excluding the intervention of structures with trans phosphine arrangement. Thus, results observed with monodentate phosphorous ligands must be interpreted in the light of the exclusive intervention of cis intermediates, without involvement of structures with trans phosphine arrangements.

Schiaffino, L., Ercolani, G. (2011). Rhodium-catalysed hydrogenation of enamides with monodentate phosphorous ligands. A density functional theory study. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 24(3), 257-261 [10.1002/poc.1756].

Rhodium-catalysed hydrogenation of enamides with monodentate phosphorous ligands. A density functional theory study

SCHIAFFINO, LUCA;ERCOLANI, GIANFRANCO
2011-03-01

Abstract

The hydrogenation of enamides catalysed by rhodium complexes of monodentate phosphorous ligands has been studied by density functional theory. The role of trans intermediates, made accessible by the non-chelating nature of the ligand, has been taken into account. The findings here reported show that cis intermediates play the major role in the mechanism of the reaction, suggesting that data obtained with chiral monodentate phosphorous ligands or with a mixture of them should be interpreted excluding the intervention of structures with trans phosphine arrangement. Thus, results observed with monodentate phosphorous ligands must be interpreted in the light of the exclusive intervention of cis intermediates, without involvement of structures with trans phosphine arrangements.
mar-2011
Pubblicato
Rilevanza internazionale
Articolo
Esperti anonimi
Settore CHIM/06 - CHIMICA ORGANICA
English
Con Impact Factor ISI
asymmetric catalysis; density functional calculations; hydrogenation; P ligands; rhodium
http://onlinelibrary.wiley.com/doi/10.1002/poc.1756/abstract
Schiaffino, L., Ercolani, G. (2011). Rhodium-catalysed hydrogenation of enamides with monodentate phosphorous ligands. A density functional theory study. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 24(3), 257-261 [10.1002/poc.1756].
Schiaffino, L; Ercolani, G
Articolo su rivista
File in questo prodotto:
File Dimensione Formato  
JPOC(2011)-24-257.pdf

solo utenti autorizzati

Descrizione: Articolo
Licenza: Copyright dell'editore
Dimensione 179.21 kB
Formato Adobe PDF
179.21 kB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2108/11630
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 8
  • ???jsp.display-item.citation.isi??? 7
social impact