Pressure-dependent rate coefficients of chemical reactions involving Si2H4 isomerization from QRRK calculations

The falloff behavior of reactions involving Si2H4* adduct isomerization is investigated in the framework of quantum Rice Ramsperger Kassel theory. Calculations are found in good agreement with the current knowledge on these reactions and provide new insight into less documented channels. The influence of pressure on the rate coefficient depends on the kind of reaction considered and can be well explained from the corresponding rate equations. Analytical expressions of the pressure-dependent rate coefficients are finally derived for several bath gases using SRI and Troe's parameterized forms. These analytical expressions can be used over a large range of temperature and pressure for modeling chemical processes involving silane or disilane pyrolysis such as chemical vapor deposition of silicon.