Temperature Dependence of Kinetic Isotope Effects in Gas-Phase Reactions. II. The Hydrogen-Atom–Formaldehyde Reaction

Kinetic isotope effects of atom-transfer reactions and their temperature dependences at high temperatures have been calculated for various hydrogen-atom–formaldehyde reactions. In the case of the “abstracting atom” kinetic isotope effect, a negative temperature coefficient is predicted in the high-temperature limit. The theoretical calculations are compared with experimental results in the literature and satisfactory agreement is obtained.