Photoisomerization Kinetics and Mechanical Stress in Azobenzene-Containing Materials.
Photoisomerization Kinetics and Mechanical Stress in Azobenzene-Containing Materials.
复制标题
DOI：
10.1021/acs.jpclett.7b00173
复制
发表时间：
2017-02
期刊：
影响因子：
--
通讯作者：
V. Toshchevikov;J. Ilnytskyi;M. Saphiannikova
中科院分区：
文献类型：
--
作者：
V. Toshchevikov;J. Ilnytskyi;M. Saphiannikova
从理论上和计算机模拟上研究了含偶氮苯材料的光致异构化动力学和有序度随时间的演化。从光致异构化动力学方程出发，我们证明了光的影响等效于有效势的作用，它使发色团垂直于偏振方向重新取向。势的强度由材料的光学和粘性特性限定。潜在的光机械应力产生巨大的价值-GPa，根据最近的实验结果偶氮苯材料深在玻璃态。所提出的方法具有很大的预测能力，为深入了解和进一步开发的光可控智能化合物。
Kinetics of photoisomerization and time evolution of ordering in azobenzene-containing materials are studied theoretically and by using computer simulations. Starting from kinetic equations of photoisomerization, we show that the influence of light is equivalent to the action of the effective potential, which reorients chromophores perpendicularly to polarization direction. The strength of the potential is defined by optical and viscous characteristics of the material. The potential generates photomechanical stress of giant values ∼GPa, in accordance with recent experimental findings for azobenzene materials deep in a glassy state. The proposed approach has a great predictive strength for deeper understanding and further development of the photocontrollable smart compounds.