Modelling of structure and interpretation of IR absorption spectra for crystals of substituted aryl propargyl ethers of phenols |
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| Authors: | M E Agel’menev S M Bratukhin Z M Muldakhmetov V V Polikarpov and O A Yakovleva |
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| Institution: | Faculty of Physics, Babes-Bolyai University, Str. Mihail Kogalniceanu No. 1, 400084 Cluj-Napoca, Romania |
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| Abstract: | IR absorption spectra of mesogenic crystals based on substituted aryl propargyl ethers of phenols (APEP) are calculated and
analyzed using the LADY program. Force constants and interatomic potentials of atoms not covalently bonded adequately describe
experimental IR spectra. The corresponding bands in the absorption spectra are interpreted. The influence of the substitution
type on the force field of separate molecules in APEP crystals is clarified. |
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