Vibrational Spectrum of p-Amyloxybenzylidene-p-Toluidine in the Crystalline Phase

Authors

  • V.Ye. Pogorelov Taras Shevchenko National University of Kyiv, Faculty of Physics
  • V.P. Bukalo Taras Shevchenko National University of Kyiv, Faculty of Physics
  • I.M. Zhovtobriukh Taras Shevchenko National University of Kyiv, Faculty of Physics

DOI:

https://doi.org/10.15407/ujpe56.9.887

Keywords:

-

Abstract

The Raman spectrum of p-amyloxybenzylidene-p-toluidine (ABT) liquid crystal in the crystalline phase has been analyzed. The spectrum was recorded in a spectral range of 0–165 cm–1 and at room temperature (T = 293 K). The quantum-chemical computer simulation of a molecular geometry has been carried out, and the vibrational frequencies of ABT molecules have been calculated by applying the B3LYP/6-31G(d, p) method. The results of quantum-chemical computer simulation were used to interpret the experimental Raman spectrum. The conformational parameters of ABT molecules in the crystalline phase have been determined.

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Published

2022-02-08

How to Cite

Pogorelov В., Bukalo В., & Zhovtobriukh Ю. (2022). Vibrational Spectrum of p-Amyloxybenzylidene-p-Toluidine in the Crystalline Phase. Ukrainian Journal of Physics, 56(9), 887. https://doi.org/10.15407/ujpe56.9.887

Issue

Section

Soft matter