title: A computational study of the reactions of a beta-diketiminatoaluminium(I) complex with the hydrogen atom and the electron.
abstract: 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 (DeltaH(rxn)=-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.
authors.affiliation: Department of Chemistry, Simon Fraser University, 8888 University Drive, Burnaby, BC V5A 1S6, Canada.
authors.forename: Iain
authors.initials: I
authors.lastname: McKenzie
authors.forename: Paul W
authors.initials: PW
authors.lastname: Percival
authors.forename: Jason A C
authors.initials: JA
authors.lastname: Clyburne