Enantiomeric excesses and electronic chirality measure.
We present an approach to measure the amount of chirality in the electronic wave function and apply it to the study of a set of asymmetric aminohydroxylation reactions. The correlation coefficient between the chirality measure and the enantiomeric excesses is larger than 0.9 and suggests that this phenomenological approach can be a valuable tool to investigate and, perhaps in the future, design asymmetric synthesis.
Bellarosa
Luca
L
Dipartimento di Chimica G. Ciamician, Università di Bologna, V. F. Selmi 2, 40126 Bologna, Italy.
Zerbetto
Francesco
F