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Simulation of Circular Dichroism by Chromophores Coupled with Selective Reflection by Cholesteric Stacks.
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2019-12-26 , DOI: 10.1021/acs.jpcb.9b09321
Jane J Ou 1 , Shaw H Chen 1
Affiliation  

The Good-Karali theory is extended to simulate composite circular dichroism (CD) through a cholesteric stack by incorporating chromophore's selective absorption (SA) and cholesteric stack's selective reflection (SR). Based on the independently evaluated anisotropic refractive indices and absorption coefficients, helical sense and pitch length, and film thickness, the theory is capable of describing transmission, reflection, and absorption through spin-cast cholesteric glassy liquid crystal films of nonafluorene. The resulting composite CD spectra agree quite well with experimental observations. The theory informs that SA plays a dominant role over SR in the composite CD. Specifically, the right-handed stack of the chromophore with its absorption dipole aligned with the local director in the cholesteric stack preferentially absorbs the left-handed over the right-handed circularly polarized light. The algebraic sign of the predicted composite CD flips by reversing the cholesteric host film's handedness without altering other parameter values. The established theory and computation constitute a solid foundation for optimizing circular polarizers by exploring the readily accessible parameter space targeting various potential applications.

中文翻译:

发色团对圆二色性的模拟与胆甾醇堆的选择性反射相结合。

通过结合发色团的选择性吸收(SA)和胆甾型叠层的选择性反射(SR),Good-Karali理论扩展到通过胆甾型叠层模拟复合圆二色性(CD)。基于独立评估的各向异性折射率和吸收系数,螺旋方向和螺距长度以及膜厚度,该理论能够描述通过自流延胆甾醇型非芴的液晶玻璃的透射,反射和吸收。合成的CD光谱与实验观察结果非常吻合。该理论表明,在复合CD中,SA在SR中起着主导作用。具体来说,发色团的右手叠层的吸收偶极与胆甾型叠层中的局部指向矢对齐,因此优先吸收左手圆偏振光而不是右手圆偏振光。预测的复合CD的代数符号通过在不更改其他参数值的情况下反转胆甾型主体胶卷的惯用性来实现。既定的理论和计算通过探索针对各种潜在应用的易于访问的参数空间,为优化圆偏振器奠定了坚实的基础。
更新日期:2020-01-21
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