A computational study of the reactions of a (beta)-diketiminatoaluminium(I) complex with the hydrogen atom and the electron

A computational study has been performed to examine the reactions of a model (beta)-diketiminatoaluminium (I) complex with the hydrogen atom and with the electron. It was found that the hydrogen atom adds to the metal centre exothermically ((delta)Hrxn=-202 kJ mol^-1), and the spin density in the resulting radical resides entirely on the (beta)diketiminato ligand. The spin density of the corresponding radical anion is very similar to the H-adduct.