Quantum chemical study on low energy reaction path for SiH, + O(‘D) --+ SiO + 2H,

One of the methods to produce SiO, layer over the Si surface is the chemical vapor deposition (CVD) by using oxygen gas and silane gas. But little is known about the mechanism of this oxidation reaction not only on the surface but also in the gas phase. In this paper, we take up the gas phase reaction between singlet oxygen (‘D) and silane. Applying quantum chemical method, a low energy reaction path is found in addition to the excited state reaction path. This agrees well with the experimental observation for the vibrational energy distribution of product SiO by laser-induced fluorescence (LIF).