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High thermally stable D–π–A chromophores with quinoxaline moieties in the conjugated bridge: Synthesis, DFT calculations and physical properties
Dyes and Pigments ( IF 4.1 ) Pub Date : 2018-04-04
Alexey A. Kalinin, Sirina M. Sharipova, Timur I. Burganov, Alina I. Levitskaya, Yulia B. Dudkina, Ayrat R. Khamatgalimov, Sergey A. Katsyuba, Yulia H. Budnikova, Marina Yu Balakina

Four chromophores belonging to a new class of push-pull chromophores with divinylphenylquinoxaline moieties have been designed and synthesized. The structure-property relationship was systematically investigated; the effect of the conformation on the value of chromophores first hyperpolarizability is found to be inessential. Quinoxaline-based chromophore with TCF acceptor and 7-dimethylanilinovinyl moiety displays the combination of favorable characteristics: the high value of the first hyperpolarizability, the small HOMO-LUMO energy gap, the blue shift of the absorption maximum relative to the chromophores with other divinylhetaryl or polyene π-bridges and ultrahigh thermal stability. This chromophore may be considered as a perfect candidate for the development of effective electro-optic materials.



中文翻译:

共轭桥中具有喹喔啉部分的高热稳定性D–π–A发色团:合成,DFT计算和物理性质

已经设计并合成了属于新型一类具有二乙烯基苯基喹喔啉部分的推挽生色团的四个生色团。系统地研究了结构与属性之间的关系。发现构象对生色团的值的第一超极化性的影响是无关紧要的。具有TCF受体和7-二甲基苯胺基乙烯基基团的基于喹喔啉的生色团显示出以下有利特征的组合:第一超极化性的高值,小的HOMO-LUMO能隙,相对于具有其他二乙烯基杂芳基或其他生色团的吸收最大值的蓝移多烯π桥和超高的热稳定性。该发色团可以被认为是开发有效的电光材料的理想选择。

更新日期:2018-04-06
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