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Influence of terminal halogen moieties on the phase structure of short-core achiral hockey-stick-shaped mesogens: design, synthesis and structure–property relationship†
Molecular Systems Design & Engineering ( IF 3.2 ) Pub Date : 2018-07-25 00:00:00 , DOI: 10.1039/c8me00027a Supreet Kaur 1, 2, 3 , Golam Mohiuddin 1, 2, 3 , Pragnya Satapathy 4, 5, 6 , Rajib Nandi 1, 2, 3 , Vidhika Punjani 1, 2, 3 , S. Krishna Prasad 4, 5, 6 , Santanu Kumar Pal 1, 2, 3
Molecular Systems Design & Engineering ( IF 3.2 ) Pub Date : 2018-07-25 00:00:00 , DOI: 10.1039/c8me00027a Supreet Kaur 1, 2, 3 , Golam Mohiuddin 1, 2, 3 , Pragnya Satapathy 4, 5, 6 , Rajib Nandi 1, 2, 3 , Vidhika Punjani 1, 2, 3 , S. Krishna Prasad 4, 5, 6 , Santanu Kumar Pal 1, 2, 3
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An extensive study of the effect of terminal halogens on the structure–property relationship in three series of polar short-core hockey-stick-shaped or L-shaped mesogens has been elucidated. The behaviour of the halogens at the tip of the short arm and the role of the end alkyl chain at the long arm in the phase structure of the mesogens have been characterised explicitly. The compounds are shown to exhibit a long-range nematic phase composed of cybotactic clusters (Ncyb) along with an underlying orthogonal smectic phase that has a tendency to align in defect-free fashion in the planar cell. Investigations of X-ray diffraction and dielectric spectroscopy confirm the presence of cybotacticity. The measured elastic constants (K11 and K33) exhibited the usual behaviour (like bent-core mesogens) in the Iso–N phase; however, a trend reversal was observed towards smectic transition. Temperature-dependent Raman study confirms the formation of intermolecular H-bonding (via –C![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
O) in the crystalline phase that systematically weakens and is finally disrupted as the system transforms through the smectic to nematic and isotropic phases. Density functional theory (DFT) study reveals the important molecular parameters that correlate with the experimental findings of the self-assembled structures.
中文翻译：
末端卤素部分对短核非手性曲棍球棒状液晶元相结构的影响：设计，合成和结构-性质关系†
阐明了末端卤素对三种极性短核曲棍球棒状或L形介晶元的结构-性质关系的影响的广泛研究。在液晶元的相结构中，卤素在短臂末端的行为和长链末端烷基链的作用已得到明确表征。被示出为表现出群聚簇（N构成的远距离向列相的化合物CYB与具有在平面电池的倾向对准在无缺陷的方式底层正交近晶相一起）。X射线衍射和介电谱的研究证实了圆规性的存在。测得的弹性常数（K 11和K 33）在Iso-N相中表现出通常的行为（如弯曲核介晶）；然而，观察到趋势向近晶过渡。依赖温度的拉曼研究证实了结晶相中分子间氢键的形成（通过–CO），随着系统从近晶相转变为向列相和各向同性相，系统地削弱了该氢键，并最终破坏了该相。密度泛函理论（DFT）研究揭示了与自组装结构的实验结果相关的重要分子参数。
更新日期：2018-07-25
O) in the crystalline phase that systematically weakens and is finally disrupted as the system transforms through the smectic to nematic and isotropic phases. Density functional theory (DFT) study reveals the important molecular parameters that correlate with the experimental findings of the self-assembled structures.
中文翻译：
末端卤素部分对短核非手性曲棍球棒状液晶元相结构的影响：设计，合成和结构-性质关系†
阐明了末端卤素对三种极性短核曲棍球棒状或L形介晶元的结构-性质关系的影响的广泛研究。在液晶元的相结构中，卤素在短臂末端的行为和长链末端烷基链的作用已得到明确表征。被示出为表现出群聚簇（N构成的远距离向列相的化合物CYB与具有在平面电池的倾向对准在无缺陷的方式底层正交近晶相一起）。X射线衍射和介电谱的研究证实了圆规性的存在。测得的弹性常数（K 11和K 33）在Iso-N相中表现出通常的行为（如弯曲核介晶）；然而，观察到趋势向近晶过渡。依赖温度的拉曼研究证实了结晶相中分子间氢键的形成（通过–C
O），随着系统从近晶相转变为向列相和各向同性相，系统地削弱了该氢键，并最终破坏了该相。密度泛函理论（DFT）研究揭示了与自组装结构的实验结果相关的重要分子参数。
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