Журнал "Макрогетероциклы"

Viktor V. Aleksandriiskii,^{a,b @} Mikhail K. Islyaikin,^a Vladimir A. Burmistrov,^a,b and Sergey A. Syrbu^a

^aIvanovo State University of Chemistry and Technology, Ivanovo, 153000, Russia

^bInstitute of Solution Chemistry of Russian Academy of Sciences, Ivanovo, 153045, Russia

^@Corresponding author E-mail: NMR@isuct.ru

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).