Mechanism and interpolated variational transition state rate constant for the reaction of atomic H with monoethylsilane

The reaction of atomic H and EtSiH3 (CH3CH2SiH3) is studied theoretically by ab initio direct dynamics methods for the first time. H abstraction from the silicyl group (SiH3), H abstraction from the methylene group (CH2), and H abstraction from the methyl group (CH3), are the three channels involved in the reaction.