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