Supramolecular Organization of Solid Azobenzene Chromophore Disperse Orange 3, Its Chloroform Solutions, and PMMA-Based Films,The Journal of Physical Chemistry C

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Supramolecular Organization of Solid Azobenzene Chromophore Disperse Orange 3, Its Chloroform Solutions, and PMMA-Based Films
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2018-01-17 00:00:00 , DOI: 10.1021/acs.jpcc.7b10543
Timur I. Burganov ₁ , Sergey A. Katsyuba ₁ , Tatiana A. Vakhonina ₁ , Anastasiya V. Sharipova ₁ , Olga D. Fominykh ₁ , Marina Yu. Balakina ₁

Affiliation

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.

中文翻译：

固体偶氮苯发色团分散橙3的超分子组织，其氯仿溶液和基于PMMA的薄膜

与振动和电子吸收光谱相结合的量子化学建模已提供了有关偶氮发色团4-氨基-4'-硝基偶氮苯（DO3）的超分子组织，其溶液以及与各种浓度的聚甲基丙烯酸甲酯（PMMA）聚合物共混的详细信息。结果表明，纯净的生色团既包含反堆积形式，又包含“头到尾”类型的氢键结合，而单独的DO3分子则在稀释的DO3氯仿溶液中占主导地位。在低浓度生色团的PMMA / DO3薄膜中，DO3主要与PMMA基质的C═O部分成氢键，而在高浓度DO3分子的共混物中，后者与PMMA以及彼此形成氢键。红外线，拉曼

更新日期：2018-01-17

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