Ys. Hiraoka et M. Mashita, AB-INITIO STUDY ON THE REACTION OF TRIMETHYLGALLIUM WITH HYDROGEN MOLECULE, Journal of crystal growth, 136(1-4), 1994, pp. 94-98
The reaction of trimethylgallium (Ga(CH3)3, TMG) with H-2 has been inv
estigated using ab initio molecular orbital calculations. It has been
shown that the activation energy of the reaction TMG + H-2 --> GaH(CH3
)2 + CH4 is 34.2 kcal/mol, while the dissociation energy of the radial
decomposition TMG --> Ga(CH3)2 + CH3 is 76.9 kcal/mol. This means tha
t TMG decomposition is dominated by hydrogenolysis under the condition
s where collisions between TMG and H-2 are sufficiently frequent. This
result explains the experimental result that the decomposition of TMG
was enhanced by increasing the H-2 pressure.