Abstract
A series ofS N2 reactions with halomethanes as substrates and the corresponding anions as nucleophiles were studied by the semiempirical MNDO and AM1 methods, taking into account solvent effects. Analysis of the kinetics, structures of reagents, intermediates and products, and charge distribution in them allows one to draw the conclusion that the retardation ofS N2 reactions is stronger in solvents than in the gas phase, and the rates of reactions involving anions with a lower number of halogen atoms are higher.
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For Part 8 see Ref. 1.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 2148–2154, November, 1995.
This work was partially financially supported by the International Science Foundation (Grant No. MHYOO).
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Machkarovskaya, I.A., Burshtein, K.Y. & Petrosyan, V.A. Synthesis on the basis of electrogenerated carbenes. Russ Chem Bull 44, 2053–2059 (1995). https://doi.org/10.1007/BF00696703
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DOI: https://doi.org/10.1007/BF00696703