Quantum Chemical Studies for the Structure-Property Relationships of the Fluoro-isothiocyanated Nematic Liquid Crystal Materials

  • Joo, Young-Dae (Bio-Informatics and Molecular Design Research Center Soongsil University) ;
  • No, K.T. (Bio-Informatics and Molecular Design Research Center Soongsil University) ;
  • Seong, See-Yearl (Bio-Informatics and Molecular Design Research Center Soongsil University) ;
  • Kim, Y.B. (Liquid Crystal Research Center, Department of Chemistry, Konkuk University) ;
  • Ban, Byeong-Seob (R&D team AMLCD Division Semiconductor Business Samsung Electronics Co, Ltd) ;
  • Lee, K.J. (R&D team AMLCD Division Semiconductor Business Samsung Electronics Co, Ltd) ;
  • Souk, J.H. (R&D team AMLCD Division Semiconductor Business Samsung Electronics Co, Ltd)
  • Published : 2003.07.09

Abstract

Some important properties of the liquid crystal molecules containing fluoro-isothiocyanated molecules have been studied using quantum chemical calculations and the results were correlated with respect to the structure of the molecules. Dielectric anisotropy, birefringence have been predicted for several unknown structures. The Maier-Meier, Vuks equation were used for the dielectric anisotropy and birefringence calculation. The results obtained by empirical approximation showed a good agreement with experiment ones.

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