Title: Hydroboration: MNDO study of hydroboration of phosphaethenes by borane and dimethylborane
Abstract: Transition structures for the hydroboration of phosphaethenes R'P = CHR″ (R' = H, CH3 or C6H5; R″ = NH2) by borane and dimethylborane have been located with MNDO calculations. The first stage of the reaction of borane with phosphaethene and with (E)-C-aminophosphaethene is the formation of a borane-phosphaalkene complex. These complexes transform predominantly to those adducts containing a B-C bond. Dimethylborane reacts directly with the π system without forming an intermediate complex. Substituent effects on the activation energies are in agreement with the experimental data.
Publication Year: 1992
Publication Date: 1992-12-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 5
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