Deuterium kinetic isotope effects theoretical calculations

This solvation rule for 5n2 reactions can be useful in predicting the influence of a change in solvent on the structure of activated complexes. It is in agreement with studies involving leaving group heavy atom and secondary a-deuterium kinetic isotope effects, as well as theoretical calculations of solvent effects on transition-state structures. Possible limitations of this solvation rule have been discussed see [498] and relevant references cited therein. [Pg.173]

In recent years, these donor-acceptor correlations to the reaction mode [49], substituent effects to stabilize meta intermediates [50-52], exo/endo selectivity [53-55], kinetics by means of fluorescence study [56] and deuterium isotope effect [57,58], formation and deactivation studies of exciplex [59,60], influence of pressure [61], and theoretical calculations [62-64] have been extensively studied. [Pg.133]