Nitrogen, carbon and secondary deuterium kinetic isotope effects were calculated for the Menshutkin reaction between methyl iodide and para-substituted aromatic N,N-dimethylamines using quantum mechanical methods. Different semiempirical Hamiltonians and continuum solvent models were evaluated on the basis of comparison between the experimental and theoretical values of these isotope effects.
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Gawlita et al. (1996) studied this question.
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