Ys. Hiraoka et M. Mashita, AB-INITIO STUDY ON THE DIMER STRUCTURES OF TRIMETHYLALUMINUM AND DIMETHYLALUMINUMHYDRIDE, Journal of crystal growth, 145(1-4), 1994, pp. 473-477
The dimer structures of trimethylaluminum (Al(CH3)(3), TMA) and dimeth
ylaluminumhydride (AIH(CH3)(2), DMAH) have been investigated using ab
initio molecular orbital calculations. It has been shown that the stru
cture of the TMA dimer is C-2h; on the other hand, that of the DMAH di
mer has been calculated to be D-2h. The dissociation energy of the TMA
dimer was only 4.2 kcal/mol, while that of the DMAH dimer was 32.3 kc
al/mol, which is considerably larger than the TMA dimer. These results
indicate that the dimer contributes directly to surface reactions whe
n DMAH is used as the source material for ALE.