Abstract
An empirical equation has been developed which reproduces bond dissociation energy (BDE) values for 65 common organic compounds with an average deviation of less than 0.6 kcal mol −1. The equation is ▪ where DH°(R-X) est is the bond strength to be estimated (for R = ethyl, sec-propyl or t-butyl); X is one of a wide variety of substituents; DH°(CH 3-X) obs is the key experimentally measured (CH 3-X) bond strength; m is the number of methyl groups substituted in CH 3; V x is the covalent potential; ΔV nb is the relief of steric strain between non-bonded atoms when the free radical pair is separated. The equation thus takes into account both inductive effects, related to a new scale of electronegativity, and structural effects.
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