Transition structures A-D were located on the MNDO surface for the reaction of the lithium enolate of acetaldehyde with acrolein. Their relative 3-21G/MNDO energies were computed. They allow a qualitative rationalization of the observed stereoselectivity trends in the title reaction.

A computational study of the 1,4-addition of lithium enolates to conjugated carbonyl-compounds / A. Bernardi, A. Capelli, A. Comotti, C.M.A. Gennari, C. Scolastico. - In: TETRAHEDRON LETTERS. - ISSN 0040-4039. - 32:6(1991), pp. 823-826. [10.1016/S0040-4039(00)74897-0]

A computational study of the 1,4-addition of lithium enolates to conjugated carbonyl-compounds

A. Bernardi
Primo
;
C.M.A. Gennari
Penultimo
;
C. Scolastico
Ultimo
1991

Abstract

Transition structures A-D were located on the MNDO surface for the reaction of the lithium enolate of acetaldehyde with acrolein. Their relative 3-21G/MNDO energies were computed. They allow a qualitative rationalization of the observed stereoselectivity trends in the title reaction.
complexes
Settore CHIM/06 - Chimica Organica
Article (author)
File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate

Caricamento pubblicazioni consigliate

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/2434/177147
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 13
  • ???jsp.display-item.citation.isi??? 14
social impact