3 years ago

Supramolecular Organization of Solid Azobenzene Chromophore Disperse Orange 3, Its Chloroform Solutions, and PMMA-Based Films

Supramolecular Organization of Solid Azobenzene Chromophore
Disperse Orange 3, Its Chloroform Solutions, and PMMA-Based Films
Tatiana A. Vakhonina, Anastasiya V. Sharipova, Sergey A. Katsyuba, Olga D. Fominykh, Timur I. Burganov, Marina Yu. Balakina
Quantum chemical modeling in combination with vibrational and electronic absorption spectroscopy has delivered detailed information about supramolecular organization of azochromophore 4-amino-4′-nitroazobenzene (DO3), its solutions, and blends with poly(methyl methacrylate) (PMMA) polymer of various concentrations. It is shown that the neat chromophore contains both antistacked forms and hydrogen bonded associations of the “head-to-tail” type, while separate DO3 molecules dominate in diluted solutions of DO3 in chloroform. In PMMA/DO3 films with low concentrations of the chromophore, DO3 is mainly H-bonded to C═O moieties of PMMA matrix, while in the blends with high concentrations of DO3 molecules, the latter form hydrogen bonds both with PMMA and with each other. Infrared, Raman, and UV–vis spectroscopic markers of isolated DO3 molecules and various modes of their supramolecular associations are revealed.

Publisher URL: http://dx.doi.org/10.1021/acs.jpcc.7b10543

DOI: 10.1021/acs.jpcc.7b10543

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