A computational study of the reactions of a beta-diketiminatoaluminium(I) complex with the hydrogen atom and the electron |
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| Authors: | McKenzie Iain Percival Paul W Clyburne Jason A C |
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| Institution: | Department of Chemistry, Simon Fraser University, 8888 University Drive, Burnaby, BC V5A 1S6, Canada. |
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| 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. |
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