Kinetic isotope effect effects, while "k"/"k" ~ 1.15-1.3 are typical for β secondary kinetic isotope effect. For reactants containing several isotopically-substituted β-hydrogen atoms, the observed isotope effect is often the result of several H/D's at the β position acting in concert. In these cases, the effect of each isotopically-labeled atom is multiplicative, and cases where "k"/"k" > 2 are not uncommon. The following simple expressions relating deuterium and tritium kinetic isotope effects, which are also known as the Swain equation (or the Swain-Schaad-Stivers equations), can be derived from the general expression given above using some simplifications: i.e., In deriving these expressions, the reasonable
Kinetic isotope effect now relatively routine. Moreover, several qualitative and semi-quantitative models allow rough estimates of deuterium isotope effects to be made without calculations, often providing enough information to rationalize experimental data or even support or refute different mechanistic possibilities. Starting materials containing deuterium are often commercially available, making the synthesis of isotopically enriched starting materials relatively straightforward. Also, due to the large relative difference in the mass of deuterium and protium and the attendant differences in vibrational frequencies, the magnitude of the isotope effect is larger than any other pair of isotopes except protium and tritium, allowing both primary and secondary isotope