ABSTRACT
R. N. KHUSNITDINOV, S. L. KHURSAN, K. R. KHUSNITDINOV, A. G. MOUSTAFIN, and I. B. ABDRAKHMANOV
Establishment of Russian Science Academy Institute of Organic Chemistry of Ufa Science Center of RSA, 450054,71 Prospect Octyabrya str, Ufa, Russian Federation; Tel.: + (347)235-38-15; E-mail: Chemhet@anrb.ru
11.1 Introduction ................................................................................ 374 11.2 Materials and the Methodology of the Experiment ................... 374 11.3 Results and Discussion ............................................................... 376 11.4 Conclusions ................................................................................ 381 Keywords .............................................................................................. 381 References ............................................................................................. 381
ABSTRACT
Correlation between inhibitory property 1-methyl-2-butenyl-aniline (MBA) and the electronic structure was investigated using such indices
as the reactivity of higher energy occupied by molecular orbitals of lower energy free of molecular orbitals, the negative charge on the nitrogen atom, and the dipole moment of the electrophilicity index. The best correlation was observed between the braking rate of corrosion and the negative charge on the nitrogen atom. Using the regression equation and the forecast of anticorrosive properties of the MBA series, we synthesized a series of compounds with high inhibitory activity.
