Dissimilar Associates of Dyes in Aqueous Solutions: Experimental Study and Computer Simulation


  • Serghey Shapovalov V.N. Karazin Kharkiv University




dissimilar associates, dyes, simulation, solutions, enthalpy of formation, spectroscopy


Dissimilar cation-anionic association of dyes («cyanine+oxyxanthene», «cyanine+sulfonepthalein») has been regularly investigated in aqueous solutions. Experimental (by spectrophotometry) and theoretical (by semiempirical) methods were used. The basic regularities of association processes have been discussed. It is shown that the change in the stability of associates has a systematic character both in the series of singly charged and doubly charged anions. The experimentally determined values (of equilibrium constant of association) and simulated values (of standard enthalpy of hydration of associates) are mutually consistent. The standard enthalpy of formation and the most probable structures of associates have been determined.


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