Application of the modified semi‐ion pair model for the evaluation of activation energies for HX (X = F, Cl, Br, I, OH) addition to olefins

Abstract

Abstract The modified semi‐ion pair model for four‐center reactions initially developed to treat the addition of hydrogen halides to olefins, including polar olefins, has been extensively applied to these systems. In addition, the restriction that the species added be a hydrogen halide has been relaxed and addition of HOH to olefins is treated within the same frame‐work. Input parameters, transition state properties, and calculated activation energies are presented for 111 such reactions. Calculated activation energies for the elimination reactions agree to better than ±2 kcal/mole, on the average, with experimental values where these areknown.