Theoretical Calculations on Hydroxybutyl 4-aroyloxybenzoates: Synthesis and Mesomorphic Properties of their H-bonded Complexes with Poly(4-vinylpyridine)

Important parameters of hydroxybutyl 4-aroyloxybenzoate ligands were calculated and correlations were made between theoretical and experimental results. In addition, supramolecular side-chain liquid crystalline polymers of the ligands with poly(4-vinylpyridine) were synthesized. Hydrogen bond format...

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Bibliographic Details
Published in:Molecular Crystals and Liquid Crystals 2014-04, Vol.593 (1), p.93-103
Main Authors: Muhammad, Khushi, Qaiser Fatmi, Muhammad, Hameed, Shahid
Format: Article
Language:English
Subjects:
Crystals
Differential scanning calorimetry
Diffraction
Fourier analysis
Hydrogen bonds
Ligands
Liquid crystal polymers
Liquid crystals
Mathematical analysis
Molecules
Nematic complexes
PM6 semiempirical calculations
poly(4-vinylpyr-idine)
supramolecular
Temperature effects
Thermogravimetric analysis
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Summary:Important parameters of hydroxybutyl 4-aroyloxybenzoate ligands were calculated and correlations were made between theoretical and experimental results. In addition, supramolecular side-chain liquid crystalline polymers of the ligands with poly(4-vinylpyridine) were synthesized. Hydrogen bond formation was ascertained by Fourier tranform infra-red spectroscopy. The stabilities of the complexes were determined by thermogravimetric analysis. The mesomorphic behavior was investigated using differential scanning calorimetry, polarizing optical microscopy and X-ray diffraction analysis. Semiempirical study revealed that a ratio of ∼1.2 in the lengths of flexible and rigid parts of the molecules is the most favorable for a wider liquid crystal (LC) temperature range.
ISSN:1542-1406
1563-5287
1527-1943
DOI:10.1080/15421406.2013.867226