Liquid-crystalline structure–property relationships in halogen-terminated derivatives of cyanobiphenyl

Edward J. Davis, Richard J. Mandle, Bethany K. Russell, Phillip Y. Foeller, Matthew S. Cook, Stephen J. Cowling, John W. Goodby*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


In this article, we report on the liquid-crystalline properties of two series of halogen-terminated cyanobiphenyl-based materials. Unlike other rod-shaped, halogen-terminated materials reported, these materials do not exhibit the smectic A phase and instead only exhibit nematic liquid-crystal mesomorphism. Comparisons between these materials and analogous unsubstituted materials were made, and the relationships between their molecular structures and phase behaviour are discussed with the aid of molecular modelling at the B3LYP/6-31G* level of density functional theory.

Original languageEnglish
Pages (from-to)1635-1646
Number of pages12
Issue number11
Early online date17 Jun 2014
Publication statusPublished - 2 Nov 2014


  • cyanobiphenyl
  • density functional theory
  • halogen terminated
  • smectic A
  • smectic A stabilisation

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