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Calculations of Substituent and Solvent Effects on the Kinetic Isotope Effects of Menshutkin Reactions

✍ Scribed by Owczarek, Emilia; Kwiatkowski, Wojciech; Lemieszewski, Michał; Mazur, Adam; Rostkowski, Michał; Paneth, Piotr

Book ID
127089545
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
83 KB
Volume
68
Category
Article
ISSN
0022-3263

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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 th