Isogyric reactions

Isogyric reactions describe chemical reactions in which the number of paired and unpaired electrons remains constant.

In the theoretical prediction of reaction energies, errors in the calculation methods are more significant, since reaction energies are small quantities compared with the energies from the difference between them. Systematic errors generally cancel each other out in the formation of differences. Thus, in theoretical chemistry it makes sense to characterize reactions according to the type of systematic error, the influence of which can be neglected when calculating the reaction energy.

definition

In an isogyric reaction, the number of paired electrons and the number of unpaired electrons remain constant. See also isodesmic reactions .

example

${\displaystyle \mathrm {(CH_{3})_{3}CBr\ \longrightarrow \ (CH_{3})_{3}C^{+}+Br^{-}} }$

literature

Frank Jensen: Introduction to Computational Chemistry. Wiley-VCH (1998)