Structure and optical properties of the 4-cyano-4′-n-pentylbiphenyl dimers and trimers

Research output

Abstract

The variation of the spectral characteristics of liquid crystal molecules based on 4-cyano-4′-n-pentylbiphenyl (5CB) was analysed depending on its associates structure using the quantum–chemical density functional hybrid potential methods B3LYP/6-31G and B3LYP/6-31G**. The electronic absorption spectra and IR spectra of dimers and trimers 5CB were calculated. It was shown that spectra are sensitive to the associates’ structure. We can observe the appearance of new bands in spectra and splitting characteristic CN stretching vibrations (1–5 cm−1) in the vibrational spectra.

Original languageEnglish
Number of pages11
JournalLiquid Crystals
DOIs
Publication statusPublished - 22 Jun 2019

Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Structure and optical properties of the 4-cyano-4′-n-pentylbiphenyl dimers and trimers'. Together they form a unique fingerprint.

Cite this