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Cooperative H–X Bond Activation by Electron‐Precise Aluminium and Gallium Compounds Incorporating β‐Diketiminate Ligands

Hitzfeld, Patrick S. ; Kretschmer, Robert


The reaction pathways of the cooperative activation of protic, hydridic, and apolar H-X bonds by electron-precise Al and Ga beta-diketiminates have been probed by means of DFT calculations. Different mechanistic scenarios have been identified and range from concerted bimolecular to associative termolecular mechanisms depending on the nature of the H-X bond. The importance of distortion in the transition-state structure for catalyst design is emphasised.

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