Vibrational spectra of chiral 3FmX1PhX26 homologues (m = 5, 6; X1 = H, f; X2 = F) in isotropic liquid, smectic and crystal phases

Chemical Physics(2023)

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摘要
•Detailed band assignments of FT-IR spectra of four similar liquid crystalline compounds.•Comparison of DFT + D3/BLYP-def2SVP and DFT + D3/BLYP-def2TZVP computational results.•Formation of hydrogen bonds presumed on cooling based on νCO wavenumbers.•No significant change in νCO bands during glass transition of smectic CA* phase.
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关键词
Fourier-transform infra -red spectroscopy, Smectic liquid crystals, Glass, Hydrogen bonds
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