Correlation of Kinetic Isotope Effects with Chemical Bonding in Three Center Reactions
Description:
We consider the kinetic isotope effect in three center reactions of the type of A+BC→AB+C. Such model calculations are a good approximation to primary hydrogen isotope effects. For abstraction or transfer reactions, B becomes H, D, or T. The dynamics of the three storm system are calculated for a general quadratic potential, with the assumption that the potential energy is constant along the reaction coordinate (flat top barrier). This model system can be calculated in detail and serves to illu…
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Date:
January 7, 1964
Creator:
Bigeleisen, Jacob
Item Type:
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Partner:
UNT Libraries Government Documents Department