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Dataset from the analysis of polarised Infrared spectra for liquid crystal dimers based on thioether cyanobiphenyl with nematic twist-bend phase.

Version 1.0

Merkel, Katarzyna; Loska, Barbara; Arakawa, Yuki; Mehl, Georg; Karcz, Jakub; Kocot. Antoni, 2023, "Dataset from the analysis of polarised Infrared spectra for liquid crystal dimers based on thioether cyanobiphenyl with nematic twist-bend phase.", https://doi.org/10.18150/WJUUXU, RepOD, V1

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Description

This dataset contains raw data from the analyses published in the article entitled „How Do Intermolecular Interactions Evolve at the Nematic to Twist–Bent Phase Transition? in International Journal of Molecular Sciences 2022, 23, 11018 (https://doi.org/10.3390/ijms231911018). The data include the raw infrared spectra as a function of temperature and from a polarized beam for four liquid crystal dimers. The files from the infrared spectroscopic measurements are in a file with the extension bsp, which include a description of the temperatures and polarizations, and contain the determined integral absorbances for selected bands. The samples studied are thioether dimers with a non-gene group: cyanobiphenyl, while the linker length between the arms is 5 and 7. The attached files are labeled with the sample name and polarization.

(2023)
Subject
Chemistry; Engineering; Physics
Keyword

FTIR spectroscopy, DFT simulations, intermolecular interactions, liquid crystal dimers, twist–bend phase, self-assembling

Related Publication

Merkel, K.; Loska, B.; Arakawa, Y.; Mehl, G.H.; Karcz, J.; Kocot, A. How Do Intermolecular Interactions Evolve at the Nematic to Twist–Bent Phase Transition? Int. J. Mol. Sci. 2022, 23, 11018. https://doi.org/10.3390/ijms231911018 https://www.mdpi.com/1422-0067/23/19/11018 doi: doi.org/10.3390/ijms231911018

CC0 Creative Commons Zero 1.0 CC0 Creative Commons Zero 1.0

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cbs7scb_p90.zip
ZIP Archive - 16.4 MB - Nov 23, 2023 - 0 Downloads
MD5: 7e951a08d803938275774cb7709ae865
License: CC0 Creative Commons Zero 1.0
CBS57SCB_p90.bsp The file contains raw data from infrared spectroscopic measurements for a sample of an symmetric liquid crystal dimer abbreviated CBS7SCB: the mesogenic group - cyanobiphenyl, the bridge connecting the mesogen and aliphatic linker contains a sulfur atoms on both sides, the linker - contains 7 carbon atoms in the aliphatic chain. The infrared spectra were measured using an Agilent Cary 670 spectrometer, as a function of temperature and polarizer rotation. The file contains 195 FTIR spectra, for a polarizer angle of 90 (p90). Measured in cooling cycles of 0.5 degree increments. Cooling rate of 2 deg/min. Temperature range: 393 K - 291K. The columns contain the determined integral absorbances for the selected bands, The column heading is described by the wave number of the band, e.g.: p1600 (means that these are the integral absorbances for the band lying at 1600 cm-1)
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cbs5scb_p0_p90.zip
ZIP Archive - 17.4 MB - Nov 23, 2023 - 0 Downloads
MD5: 5a9e241eb13ff74eb2aa367b76edac90
License: CC0 Creative Commons Zero 1.0
CBS5SCB_p0_p90.bsp The file contains raw data from infrared spectroscopic measurements for a sample of an symmetric liquid crystal dimer abbreviated CBS5SCB: the mesogenic group - cyanobiphenyl, the bridge connecting the mesogen and aliphatic linker contains a sulfur atoms on both sides, the linker - contains 5 carbon atoms in the aliphatic chain. The infrared spectra were measured using an Agilent Cary 670 spectrometer, as a function of temperature and polarizer rotation. The file contains 178 FTIR spectra, for a polarizer angle of 0 and 90 (p0, p90). Measured in cooling cycles of 0.5 degree increments. Cooling rate of 2 deg/min. Temperature range: 389 K - 345K. The columns contain the determined integral absorbances for the selected bands, The column heading is described by the wave number of the band, e.g.: p1600 (means that these are the integral absorbances for the band lying at 1600 cm-1)
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cbs7ocb_p0.zip
ZIP Archive - 4.1 MB - Nov 23, 2023 - 0 Downloads
MD5: 5b5d64ece888d17e97addfb4e54522cb
License: CC0 Creative Commons Zero 1.0
CBS57OCB_p0.bsp The file contains raw data from infrared spectroscopic measurements for a sample of an asymmetric liquid crystal dimer abbreviated CBS7OCB: the mesogenic group - cyanobiphenyl, bridge connecting the mesogen and aliphatic linker contains a sulfur atom on one side and an oxygen atom on the other side,, the linker - contains 7 carbon atoms in the aliphatic chain. The infrared spectra were measured using an Agilent Cary 670 spectrometer, as a function of temperature and polarizer rotation. The file contains 37 FTIR spectra, for a polarizer angle of 0 (p0). Measured in cooling cycles of 1 degree increments. Cooling rate of 5 deg/min. Temperature range: 371 K - 321K. The columns contain the determined integral absorbances for the selected bands, The column heading is described by the wave number of the band, e.g.: p1600 (means that these are the integral absorbances for the band lying at 1600 cm-1)
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cbs7ocb_p90.zip
ZIP Archive - 3.7 MB - Nov 23, 2023 - 0 Downloads
MD5: f01460e177697f0f7d7a17ba37a91e11
License: CC0 Creative Commons Zero 1.0
The file contains raw data from infrared spectroscopic measurements for a sample of an asymmetric liquid crystal dimer abbreviated CBS7OCB: the mesogenic group - cyanobiphenyl, bridge connecting the mesogen and aliphatic linker contains a sulfur atom on one side and an oxygen atom on the other side,, the linker - contains 7 carbon atoms in the aliphatic chain. The infrared spectra were measured using an Agilent Cary 670 spectrometer, as a function of temperature and polarizer rotation. The file contains 37 FTIR spectra, for a polarizer angle of 90 (p90). Measured in cooling cycles of 1 degree increments. Cooling rate of 5 deg/min. Temperature range: 371 K - 321K. The columns contain the determined integral absorbances for the selected bands, The column heading is described by the wave number of the band, e.g.: p1600 (means that these are the integral absorbances for the band lying at 1600 cm-1)
Download
cbs7scb_p0.zip
ZIP Archive - 16.4 MB - Nov 23, 2023 - 0 Downloads
MD5: 6aff5642814680217d846e0dc1d5ce21
License: CC0 Creative Commons Zero 1.0
The file contains raw data from infrared spectroscopic measurements for a sample of an asymmetric liquid crystal dimer abbreviated CBS7SCB: the mesogenic group - cyanobiphenyl, the bridge connecting the mesogen and aliphatic linker contains a sulfur atoms on both sides, the linker - contains 7 carbon atoms in the aliphatic chain. The infrared spectra were measured using an Agilent Cary 670 spectrometer, as a function of temperature and polarizer rotation. The file contains 195 FTIR spectra, for a polarizer angle of 90 (p90). Measured in cooling cycles of 0.5 degree increments. Cooling rate of 2 deg/min. Temperature range: 393 K - 291K. The columns contain the determined integral absorbances for the selected bands, The column heading is described by the wave number of the band, e.g.: p1600 (means that these are the integral absorbances for the band lying at 1600 cm-1)
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