Simulations of spectra and some physical attributes of specific homologous series of nematic liquid crystals in the range of 0.4–7.6 THz

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DOI:

https://doi.org/10.4302/plp.v17i4.1370

Abstract

In this research, we provide the outcomes of spectral calculations and selected characteristics of the NLC homologous series of cyanobiphenyls (nCB) and phenylcyclohexanes (nPCH) within the frequency range of 0.4–7.6 THz. Geometry optimizations, assessments of harmonic frequencies, and calculations of intensity were performed utilizing Scigress – Molecular Modelling Software developed by Fujitsu. The numerical analyses were executed following the standard DFT procedure, employing the B88-LYP functional and DZVP basis sets. The results obtained for the absorption spectra, along with physical parameters such as dielectric permittivity, refractive index, and birefringence, are detailed herein. Notably, we demonstrate that the results align well with the referenced experimental findings.

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References

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Published

2025-12-31

How to Cite

[1]
K. Sielezin, R. Kowerdziej, U. Chodorow, M. Olifierczuk, and J. Parka, “Simulations of spectra and some physical attributes of specific homologous series of nematic liquid crystals in the range of 0.4–7.6 THz ”, Photonics Lett. Pol., vol. 17, no. 4, pp. 82–84, Dec. 2025.

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Vol. 17 No. 4 (2025)

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Articles

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Copyright (c) 2026 Karol Sielezin, Rafał Kowerdziej, Urszula Chodorow, Marek Olifierczuk, Janusz Parka

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