Diborane heterolysis and P(v) reduction by Ph3P
O coordination to magnesium†
Abstract
Reaction of a magnesium diboranate complex with triphenylphosphine oxide provides a terminal magnesium boryl, which is itself a potent reagent for the deoxygenative reduction of Ph3PO. Computational analysis with density functional theory (DFT) indicates that B–B bond activation results from initial coordination of the P
O bond of the phosphine oxide to magnesium.

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O coordination to magnesium