The origin of regioselectivity in hydroboration of olefins has been analyzed by MNDO methodology. With a standard transition structure derived from full MNDO optimizations, a linear correlation between calculated and experimental regioselectivities has been found. A similar approach applied to asymmetric inductions of hydroboration with chiral hydroborating agents lead also to an acceptable linear correlation between calculated and experimental results. The MNDO method has been used for a search of alternative hydroborating agents.
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Egger et al. (1987) studied this question.
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