Journal of the American Chemical Society, Vol.121, No.37, 8567-8576, 1999
Origin of stereoselectivities in asymmetric alkoxyselenenylations
Asymmetric alkoxyselenenylations of alkenes have been studied by B3LYP/3-21G, B3LYP/6-31G*, and SCI-PCM calculations. Stereoselectivities can be rationalized by the relative stabilities of transition states for attack of nucleophiles on seleniranium intermediates. A model to explain and predict stereoselectivities has been developed.