Hydrogen Transfer in Unimolecular Gas-phase Reactions

Intramolecular Hydrogen Transfer in Unimolecular Gas-phase Reactions [Pg.857]

Intramolecular hydrogen transfer is another important class of chemical reactions that has been widely studied using transition state theory. Unimolecular gas-phase reactions are most often treated using RRKM theory [60], which combines a microcanonical transition state theory treatment of the unimolecular reaction step with models for energy redistribution within the molecule. In this presentation we will focus on the unimolecular reaction step and assume that energy redistribution is rapid, which is equivalent to the high-pressure limit of RRKM theory. [Pg.857]

We provide two examples of intramolecular hydrogen transfer reactions in polyatomic systems to illustrate the convenience and value of VTST methods for treating these types of reactions. [Pg.858]

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