MNDO study of reaction paths: Hydroboration of methyl cyanide
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The hydroboration reaction of methyl cyanide has been investigated by the MNDO method. It has been shown that the reaction requires an activation energy of 25.3 kcal/mol and involves a four-center-like transition state in the rate-determining step. This reaction has been compared with the corresponding reaction of hydrogen cyanide, and the effect of methyl substitution on the reaction has been discussed. The charge-transfer effects accompanying the reaction have also been studied.
Key wordsHydroboration of methyl cyanide Effect of methyl substitution Charge-transfer effects
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