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Stress Sensing in Polycaprolactone Films via an Embedded Photochromic Compound

机译:通过嵌入的光致变色化合物在聚己内酯薄膜中的应力传感

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摘要

A photochromic polymer exhibiting mechanochromic behavior is prepared by means of ring-opening polymerization (ROP) of ε-caprolactone by utilizing a difunctional indolinospiropyran as an initiator. The configuration of having the photochromic initiating species within the polymer backbone leads to a mechanochromic effect with deformation of polymer films leading to ring-opening of the spiro C−O bond to form the colored merocyanine. Active stress monitoring by dynamic mechanical analysis (DMA) in tension mode was used to probe the effects of UV irradiation on polymer films held under constant strain. Irradiation with UV light induces a negative change in the polymer stress of approximately 50 kPa. Finally, a model of the mechanochromic effect was performed using density functional theory (DFT) and time-dependent DFT (TDDFT) calculations. A sharp increase in the relative molecular energy and the absorption wavelength as well as a drastic decrease in the spiro-oxygen atom charge occurred at a molecular elongation of >39%.
机译:通过使用双官能吲哚并螺吡喃作为引发剂,通过ε-己内酯的开环聚合(ROP)来制备表现出机械变色行为的光致变色聚合物。在聚合物主链中具有光致变色引发物种的配置导致机械致变色效应,其中聚合物膜变形导致螺环C-O键开环以形成有色的花菁。通过在拉伸模式下通过动态力学分析(DMA)进行主动应力监测,以探测UV辐照对保持恒定应变的聚合物薄膜的影响。用紫外线照射会引起聚合物应力产生约50 kPa的负变化。最后,使用密度泛函理论(DFT)和时变DFT(TDDFT)计算来建立机械变色效应模型。当分子伸长率大于39%时,相对分子能和吸收波长急剧增加,螺氧原子电荷急剧减少。

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