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Kinetic isotope effects on the Menshutkin reaction: Theory versus experiment

✍ Scribed by E. Gawlita; A. Szylhabel-Godala; P. Paneth

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
652 KB
Volume
9
Category
Article
ISSN
0894-3230

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✦ Synopsis

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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