Theoretical Mechanism Study of BH3‐Mediated Reduction of P‐Stereogenic Hydroxyalkylphosphine Oxides

European Journal of Organic Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Июнь 3, 2024

Abstract The BH 3 ‐mediated reduction of P‐stereogenic hydroxyalkylphosphine oxides was investigated by Density Functional Theory calculations. By combining theoretical approaches with experimental observations, we explored two mechanisms that account for its stereospecificity, implying an inversion the configuration at phosphorus atom. One mechanism proceeds through a cyclic intermediate in which coordination borane to oxygen atoms lowers .THF‐attack barrier. However, free energy barrier this combined process is too high reaction feasible room temperature. calculations rather support second from same and in‐situ formation 4 − as reducing agent.

Язык: Английский

Molecular dynamics and experimental investigation of rhodium recovery mechanisms from triphenylphosphine hydroxy-rhodium catalysts

Separation and Purification Technology, Год журнала: 2024, Номер 355, С. 129546 - 129546

Опубликована: Сен. 6, 2024

Язык: Английский

Reduction of S O and SO2 to S, S–X to S–H, and P O to P

Elsevier eBooks, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

Язык: Английский