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Reactivity of phosphiranes toward nucleophiles: Theoretical and experimental investigations

Coote, Michelle; Krenske, Elizabeth; Maulana, Ilham; Steinbach, Joerg; Wild, Stanley (Bruce)


The thermodynamic and kinetic parameters for the reaction of 1-methylphosphirane with dimethylphosphide (PMe2-), proceeding via attack at the ring phosphorus atom to give Me2P- PMe- plus ethylene, were calculated at the G3(MP2)-RAD(+) level. The rate constant for this mechanism (k= 1.1 × 10-13 L mol -1 s-1 at 25°C) is seven orders of magnitude greater than that for the previously studied mechanism involving attack at carbon. Experimental investigations with 1-phenylphosphirane gave consistent...[Show more]

CollectionsANU Research Publications
Date published: 2008
Type: Journal article
Source: Heteroatom Chemistry
DOI: 10.1002/hc.20405


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