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Crystals 2019, 9(3), 133; https://doi.org/10.3390/cryst9030133

Phase Behavior and DFT Calculations of Laterally Methyl Supramolecular Hydrogen-Bonding Complexes

1
Chemistry Department, College of Sciences, Yanbu, Taibah University, Yanbu 30799, Saudi Arabia
2
Faculty of Science, Department of Chemistry, Cairo University, Cairo 12613, Egypt
3
Faculty of Science, Chemistry Department, Alexandria University, Alexandria 21321, Egypt
4
hemistry Department, College of Sciences, Al-Madina Al-Munawarah, Taibah University, Al-Madina 30002, Saudi Arabia
*
Authors to whom correspondence should be addressed.
Received: 24 January 2019 / Revised: 19 February 2019 / Accepted: 26 February 2019 / Published: 6 March 2019
(This article belongs to the Section Liquid Crystals)
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Abstract

Four new series of laterally methyl-substituted hydrogen-bonded supramolecular complexes were prepared. The prepared complexes were thermally investigated by differential scanning calorimetry (DSC) and phases identified by polarized light microscopy (PLM). Supramolecular hydrogen-bonded complexes formed from a 1:1 mixture of any two derivatives, bearing different alkoxy chains, of 4-alkoxyphenylazobenzoic acid and 4-(2-(pyridin-4-yl)diazenyl-(2-(or 3-)methylphenyl) 4-alkoxybenzoate. The investigated 1:1 mixture made by introducing a lateral methyl group by different spatial orientation angles into pyridine-based components. All new complexes were confirmed by Fourier-transform infrared spectroscopy (FTIR) and computational calculations used to study their stabilities. It is found that the prepared complexes are dimorphic, exhibiting smectic C and enhanced nematic phases. A comparison was made between the new series and previously investigated simpler complexes, revealed that the incorporation of the phenylazo group elongate the mesogenic part and hence broad nematic phases were obtained with high stability. View Full-Text
Keywords: supramolecular-hydrogen bonding; lateral methyl; 4-alkoxyphenylazobenzoic acid; nematic stability; computational calculations; DFT supramolecular-hydrogen bonding; lateral methyl; 4-alkoxyphenylazobenzoic acid; nematic stability; computational calculations; DFT
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Ahmed, H.A.; Hagar, M.; Alhaddad, O.A. Phase Behavior and DFT Calculations of Laterally Methyl Supramolecular Hydrogen-Bonding Complexes. Crystals 2019, 9, 133.

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