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The influences of lateral groups on 4-cyanobiphenyl-benzonitrile- based dimers

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journal contribution
posted on 14.01.2022, 12:40 by Srinatha M K, Ayesha Zeba, Anjali Ganjiwale, Ashwathanarayana Gowda, Gurumurthy Hegde, Mohamed Alaasar, G. Shanker

Cyanobiphenyl-based compounds are known to display RT or low melting liquid crystals in a single-component system or composites. Herein, we discuss the influence of laterally substituted groups (-CN, -F, -H) on 4-[ω-(4-cyanobiphenyl-4’-yloxy)alk-1-yloxy]benzonitrile. Three series of new dimers were synthesised by using 4-cyano-4’-hydroxybiphenyl connected via flexible spacers with different number of carbon atoms to 4-hydroxyphthalonitrile/ 2-fluoro-4-hydroxy benzonitrile/ 4-hydroxy benzonitrile. Their self-assembly in LC phases assessed by polarising optical microscopy (POM), differential scanning calorimetry (DSC) and X-ray diffraction studies, and their behaviours are compared with related non-substituted (-H) model compound. UV-Visible and fluorescent experiments confirm the strong aggregation, the intensities of emission decrease as we move from CN→F→H substitutions. A representative dimer from each series covering the aspect of polarity and flexibility have been simulated using 1000 minimisation steepest descent and CHARMM force filed to examine their self-assembly. This work helps to understand the influence of lateral groups, connecting spacers on the LC behaviour of dimers.


This work was supported by the Science and Engineering Research Board [ECR/2016/001224].