The results of the study of the association of methylene blue and caffeine molecules in aqueous solution by spectrophotometry were analyzed using a dimer model. The decomposition of the experimental absorption spectrum of a mixture of heterocyclic molecules into individual components is performed. According to the data of individual components of the spectrum (position and intensity of absorption bands) obtained from comparison of experimental and calculated spectra by regularization, the structural parameters of the heterocomplex were estimated in the exact-dipole approximation: the distance and angle between the point dipole moments of transitions of dissimilar molecules 0.34 nm and 38 o, respectively.
spectrophotometry, absorption, dyes, caffeine, monomer, dimmer, hetero-association, dimer model, association constant, transition dipole moment, structural parameters
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