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Issue 8, 1985
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Theoretical study of the effect of nitromethane on C2H4–H+ and C2H4–CH3+ combination reactions

Abstract

The protonation and methylation of ethylene with solvation of the electrophile by one nitromethane molecule are studied, by means of the MINDO/3 method, in order to check the hypothesis of partial desolvation of the electrophile in the transition state. It has been found that the degree of desolvation depends on the electrophile, the solvent, and the nucleophile.

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Article information


J. Chem. Soc., Perkin Trans. 2, 1985, 1237-1240
Article type
Paper

Theoretical study of the effect of nitromethane on C2H4–H+ and C2H4–CH3+ combination reactions

J. A. Cristóbal and J. B. Rusca, J. Chem. Soc., Perkin Trans. 2, 1985, 1237
DOI: 10.1039/P29850001237

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