https://www.selleckchem.com/pr....oducts/ro-20-1724.ht
In this work, using DFT calculations, we investigated Lewis acidities of carbon (in activated carbonyl group) in comparison to the B(C6 F5 )3 in combination with dioxane as the Lewis base (L for metal-free catalysis of heterolytic H2 splitting and hydrogenation of carbonyl compounds. We found that in case of carbon as the Lewis acid (LA) the reaction is controlled by frontier molecular orbital interactions between the H2 and LA-LB fragments at shorter distances. The steric effects can be reduced by electrophilic substitutions on th
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