Competitive reaction pathways for the gas-phase reactivity of [Me2 AlNH2 ]3.

Abstract

Reaction energy profiles for [Me2 AlNH2 ]3 have been computationally explored by using density functional theory. Both intra- and intermolecular methane elimination reactions, as well as Al-N bond-breaking pathways, were considered. The results show that the energy required for Al-N bond breaking in cyclic [Me2 AlNH2 ]3 is of the same order of magnitude as… (More)
DOI: 10.1002/cphc.201402230

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