Methylaluminium compounds

  title={Methylaluminium compounds},
  author={K. A. Levison and Peter G. Perkins},
  journal={Theoretica chimica acta},
The S.C.M.O. methods has been employed to study the valence electronic structures of some isomers of the methylboron and methylaluminium hydrides. Basis sets including 3s, 3p and diffuse and contracted 3d orbitals were used for the aluminium atoms. For both boron and aluminium compounds hydrogen is energetically favoured over methyl as a bridging group. This stems mainly from the different nuclear repulsion energies of the isomers. Participation of the 3d orbitals is quite marked, particularly…