The mechanism of allyl isomerization of unsaturated compounds catalyzed by organomagnesium clustersстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The paper presents a density functional theory investigation of the mechanism of allyl isomerization of olefins on magnesium clusters for the example of the Mg@4--allylbenzene system. The rearrangement of the cluster compound corresponding to the insertion of the tetranuclear cluster at a C--H allylbenzene bond into a structure derivative from 2-methylstyrene is an activationless reaction. The limiting step is the liberation of the cluster nucleus capable of interacting with another allylbenzene molecule. Cluster decomposition competes with this process; this conclusion is in agreement with experimental short lifetimes of cluster magnesium hydride catalysts.