Natural bond orbital (NBO) analysis of the transition states of cyclohexanone reduction with LiAlH4 located at the B3LYP/6-31+G(d) level along the intrinsic reaction coordinate (IRC) strongly indicate that the antiperiplanar effect involving the incipient bond may not be important as a controlling factor of π-facial selection in carbonyl reduction.
S. Tomoda and T. Senju, Chem. Commun., 1999, 423 DOI: 10.1039/A809117J
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