Bicyclo[2.1.1]hexan-2-one as a new probe for the study of π-facial selectivity in nucleophilic additions. A comment

The cation complexation model performs better than the hydride model and is at par with the transition state model at the HF/6-31G* and B3LYP/6-31G* levels. Electrostatic effects that rely on the residual charges on C5 and C6 of the title substrate and that are believed to contribute to the overall performance of the hydride model also perform poorly.