H-complexes on the basis of macroheterocycles. 3. solvation state of tetra(3,5-di-tert-butylphenyl)porphin in solutions

Abstract

Using 1H NMR spectroscopy and semiempirical calculations (AM1) the solvation state of tetra(3,5-di-tert-butylphenyl) porphin (I) was studied in the binary mixtures, containing electrondonating solvating solvent and CCl4,. The stability constants and thermodynamic characteristics of octasubstituted tetraphenylporphin H-complexes with electrondonating solvents were calculated on the basis of concentration and temperature dependencies of chemical shifts of the inner macrocyclic protons. The results of the spectroscopic study are discussed in a view of peculiarities of spatial and electronic structure of tetraphenylporphin (II) and its complexes, revealed by semiempirical method (AM1). © ISUCT Publishing.