Quantum-chemical calculation of Gibbs energy dependence of iodarene diiodation reaction on pK<sub>a</sub> acids and on от σ<sup>+</sup>-Gammete constant
With the help of DFT (B3LYP/3-21G(d,p)) method the thermodynamics of diiodation reaction of para-substituted arenes with acids has been calculated. The dependence close to linear one was detected by comparing parameters calculated by Gibbs free energy and geometric parameters with experimental value σ+ of Gammete para-constant. It was shown that AG depends linearly on acid value of proper acid.