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Exchange and insertion reactions involving borane adducts of phosphirane and phosphirene: a G2(MP2) ab initio investigation

Solling, Theis; Wild, Stanley (Bruce); Radom, Leo

Description

Ab initio molecular orbital calculations at the G2(MP2) level have been employed to investigate the insertion and exchange reactions between unsaturated hydrocarbons and borane adducts of three-membered phosphorus heterocycles. Exchange is predicted to be energetically highly preferred over insertion, despite a large thermodynamic driving force for the latter. However, the present results suggest that the barriers for exchange are too high for the reaction to be observed experimentally. The...[Show more]

CollectionsANU Research Publications
Date published: 1999
Type: Journal article
URI: http://hdl.handle.net/1885/93840
Source: Journal of Organometallic Chemistry

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