Polarized infrared spectra and DFT calculations for liquid crystal dimers based on thioether linked napthalene based dimers with nematic twist-bend phase

The files contain raw data from the analysis to be published in the article entitled „Theoretical Insights into Twist-Bend Nematic Liquid Crystals: Infrared Spectra Analysis of Naphthalene-Based Dimers".The subject of this study were binary mixtures of 4,4’ –(( alkane-1,(n-2)-diylbis (sulfanediyl)bis(napthalene-6,2-diyl))dibenzonitrriles, referred to as the PNSnSNP series, where n refers to the number of methylene units in the flexible alkyl spacer. We selected odd-spaced nematogens from the PNSnSNP series (n = 3, 7), which exhibit a stable NTB phase. The data include the raw infrared spectra as a function of temperature and from a polarized beam for Both 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. DFT calculations of the molecular geometry, transition dipole moment and theoretical IR spectra for single dimers as well as dimer systems are also included.