Improved procedures for determining second-derivative cross-interaction coefficients and for establishing a relationship between the value and reaction type

Abstract

In a Hammett-type study of the second-derivative kinetic influences of dual substitution, one can use internally generated substituent constants, avoiding the need to choose from among the various substituent constant scales prior to statistical analysis; this method leads to a better, often considerably better, analysis than similar methods using external constants. It is shown that the Palm α values generated by this procedure can give a better classification of reaction type than the previously used uncalibrated ρxy values.