THE INFLUENCE OF SUBSTITUENTS IN ARENE RING OF ANILINE ON DYNAMIC, ENERGETIC AND ELECTROOPTICAL NON-EQUIVALENCY OF AMINO GROUP NH-BONDS IN COMPLEXES WITH INTERMOLECULAR H-BOND OF 1 1 AND 1/2 COMPOSITION/

Infrared spectra of free and bound with different proton accepters in 1:1 and 1:2 complexes H-bonded molecules of 3,5-dichloroaniline, 3,5-d ibromoaniline, 2,3,5,6-tetrafluoroaniline, 4-methoxytetrafluoroaniline , pentafluoroaniline, 4-nitro-aniline, 2,6-dichloro-4-nitroaniline, 4- nitrotetrafluoroaniline and 4-aminotetrafluoropyridine were studied in the region of stretching and deformational vibrations of amino group. Spectral characteristics of absorption bands of free and bound H-bond ed molecules of substituted anilines in solutions were determined. Wit h regard to dynamic and electrooptical non-equivalence of amino group NH-bonds in free and bound H-bonded molecules of anilines the solution of vibrational and electrooptical tasks was found. The valent angles gamma(HNH) and the dynamic and electrooptical characteristics of amino group NH-bonds were determined. Equilibrium constants monomer-complex were calculated for 1:1 H-bonded complexes. The influence of the posi tion, number and individual properties of substituents on donor featur es in H-bond the geometrical, dynamic, electrooptical and energetic ch aracteristics of amino group NH-bonds of anilines in complexes of diff erent composition were investigated. It was shown that amino group NH- bonds in 1:1 and 1:2 complexes were non-equivalent dynamically, electr ooptically and energetically. Non-equivalence of NH-bonds was mainly d etermined by the position, number and individual properties of substit uents in aniline arene ring. The correlations between the spectral, ge ometrical, dynamic and electrooptical characteristics of amino group i n 1:1 and 1:2 H-bonded complexes were stated.