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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 Ph 3 PO. Computational analysis with density functional theory (DFT) indicates that B-B bond activation results from initial coordination of the P[double bond, length as m-dash]O bond of the phosphine oxide to magnesium.

Diborane heterolysis and P(v) reduction by Ph3PO coordination to magnesium

Diborane heterolysis and P(v) reduction by Ph₃PO coordination to magnesium