Abstract:
Deprotonation energy for a number of OH-acids theoretically estimated by UHF 6–31G ab initio CPCM
methods using Gaussian-2009. Reducing of acids deprotonation energy with increasing of the medium polarity
is shown by quantum chemical methods. Theoretical justification of EPR spectroscopic data on decrease of
rate of the proton exchange reaction between semiquinone radical 3,6-di-tert-butyl-2-oxyphenoxyl and some
carboxylic acids in polar media is given.
