The solvent effect on the rate constant, regioselectivity and stereoselectivity of the Diels-Alder reaction between 1-hydroxybutadiene and crolein has been studied theoretically by means of the cavity model. The results obtained are in good agreement with the experimental facts. The fundamental role of charge transfer in the increase of selectivity with the solvent is discussed. © 1983.
|Journal||Journal of Molecular Structure: THEOCHEM|
|Publication status||Published - 1 Jan 1983|