An Ab Initio Investigation of the RhI‐Catalyzed Hydroboration of CC Bonds: Evidence for Hydrogen Migration in the Key Step
摘要：
Participation of several 14-electron complexes as intermediates in the [Rh(PH3)3Cl]-catalyzed addition of BH3 to alkenes is suggested by results of ab initio pseudopotential computations, which also indicate a preference for migration of a hydrogen atom rather than the BH2 group to the C C bond in the key step. The calculations also provide a rationale for the diastereoselectivity of the reaction. The structure calculated for one of the intermediates is shown on the right.
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DOI：
10.1002/anie.199501151
被引量：
年份：
1995
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