Kinetics study on the reactions of dimethyl ether with triplet oxygen and hydrogen atoms

Highlights: • The H-abstraction channels involving the formations of reactant complexes were confirmed. • Their branching rates are almost 1.0 at the temperature less than 1000 K. • The H-abstraction channels have positive temperature dependence. The reaction kinetics of dimethyl ether (CH₃OCH₃) with O(³P) and hydrogen atom have been studied. Electronic energies were calculated by single-point energy calculations at the CCSD(T)/cc-PVnZ (n = D, T, Q) levels. Rate coefficients of the reactions were calculated by the canonical variational transition state theory (CVT) with the small curvature tunneling (SCT) correction. The hydrogen-abstraction channels involve the formation of reactant complexes in the entrance channels and show positive temperature dependence. Their branching rates are almost 1.0 at the temperature less than 1000 K.