Induced Phases of New H-bonded Supramolecular Liquid Crystal Complexes; Mesomorphic and Geometrical Estimation
New five rings architecture of 1:1 supramolecular hydrogen bonded (H-bonded) complexes were formed between 4-(2-(pyridin-4-yl)diazenyl-3-methylphenyl 4-alkoxybenzoates and 4-n-alkoxyphenyliminobenzoic acids. Mesomorphic and optical behaviors of three systems designed complexes were investigated by d...
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| Format: | Article |
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MDPI AG
2020-03-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/7/1549 |
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| author | Rua B. Alnoman Hoda A. Ahmed Mohamed Hagar Khulood A. Abu Al-Ola Bedor Sh. Alrefay Bashayer A. Haddad Raghad F. Albalawi Razan H. Aljuhani Lama D. Aloqebi Shoaa F. Alsenani |
| author_facet | Rua B. Alnoman Hoda A. Ahmed Mohamed Hagar Khulood A. Abu Al-Ola Bedor Sh. Alrefay Bashayer A. Haddad Raghad F. Albalawi Razan H. Aljuhani Lama D. Aloqebi Shoaa F. Alsenani |
| author_sort | Rua B. Alnoman |
| collection | DOAJ |
| description | New five rings architecture of 1:1 supramolecular hydrogen bonded (H-bonded) complexes were formed between 4-(2-(pyridin-4-yl)diazenyl-3-methylphenyl 4-alkoxybenzoates and 4-n-alkoxyphenyliminobenzoic acids. Mesomorphic and optical behaviors of three systems designed complexes were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). H-bonded interactions were confirmed via FT-IR spectroscopy. Computational calculations were carried out by density functional theory (DFT) estimation for all formed complexes. Experimental evaluations were correlated with the theoretical predictions and results revealed that, all prepared complexes possessing enantiotropic tri-mesophases with induced smectic C (SmC) and nematic temperature ranges. Moreover, DFT predicted for all formed supramolecular complexes possessing a non-linear bent geometry. Moreover, the π–π stacking of the aromatic rings plays an important role in the mesomorphic properties and thermal stabilities of observed phases. The energy changes between frontier molecular orbitals (HOMO and LUMO) and the molecular electrostatic potential (MEP) of the designed complexes were discussed and related to the experimental results. |
| first_indexed | 2024-03-11T10:11:19Z |
| format | Article |
| id | doaj.art-e63b148c3ac942469c9b88f53297838b |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-11T10:11:19Z |
| publishDate | 2020-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-e63b148c3ac942469c9b88f53297838b2023-11-16T14:31:55ZengMDPI AGMolecules1420-30492020-03-01257154910.3390/molecules25071549Induced Phases of New H-bonded Supramolecular Liquid Crystal Complexes; Mesomorphic and Geometrical EstimationRua B. Alnoman0Hoda A. Ahmed1Mohamed Hagar2Khulood A. Abu Al-Ola3Bedor Sh. Alrefay4Bashayer A. Haddad5Raghad F. Albalawi6Razan H. Aljuhani7Lama D. Aloqebi8Shoaa F. Alsenani9Chemistry Department, College of Sciences, Taibah University, Yanbu 30799, Saudi ArabiaFaculty of Science, Department of Chemistry, Cairo University, Cairo 12613, EgyptChemistry Department, College of Sciences, Taibah University, Yanbu 30799, Saudi ArabiaChemistry Department, College of Sciences, Al-Madina Al-Munawarah, Taibah University, Al-Madina 30002, Saudi ArabiaChemistry Department, College of Sciences, Taibah University, Yanbu 30799, Saudi ArabiaChemistry Department, College of Sciences, Taibah University, Yanbu 30799, Saudi ArabiaChemistry Department, College of Sciences, Taibah University, Yanbu 30799, Saudi ArabiaChemistry Department, College of Sciences, Taibah University, Yanbu 30799, Saudi ArabiaChemistry Department, College of Sciences, Taibah University, Yanbu 30799, Saudi ArabiaChemistry Department, College of Sciences, Taibah University, Yanbu 30799, Saudi ArabiaNew five rings architecture of 1:1 supramolecular hydrogen bonded (H-bonded) complexes were formed between 4-(2-(pyridin-4-yl)diazenyl-3-methylphenyl 4-alkoxybenzoates and 4-n-alkoxyphenyliminobenzoic acids. Mesomorphic and optical behaviors of three systems designed complexes were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). H-bonded interactions were confirmed via FT-IR spectroscopy. Computational calculations were carried out by density functional theory (DFT) estimation for all formed complexes. Experimental evaluations were correlated with the theoretical predictions and results revealed that, all prepared complexes possessing enantiotropic tri-mesophases with induced smectic C (SmC) and nematic temperature ranges. Moreover, DFT predicted for all formed supramolecular complexes possessing a non-linear bent geometry. Moreover, the π–π stacking of the aromatic rings plays an important role in the mesomorphic properties and thermal stabilities of observed phases. The energy changes between frontier molecular orbitals (HOMO and LUMO) and the molecular electrostatic potential (MEP) of the designed complexes were discussed and related to the experimental results.https://www.mdpi.com/1420-3049/25/7/1549supramolecular H-bonding complexes4-Alkoxyphenyliminobenzoic acidinduced phaseDFT calculationsmesomorphic Schiff base liquid crystals |
| spellingShingle | Rua B. Alnoman Hoda A. Ahmed Mohamed Hagar Khulood A. Abu Al-Ola Bedor Sh. Alrefay Bashayer A. Haddad Raghad F. Albalawi Razan H. Aljuhani Lama D. Aloqebi Shoaa F. Alsenani Induced Phases of New H-bonded Supramolecular Liquid Crystal Complexes; Mesomorphic and Geometrical Estimation Molecules supramolecular H-bonding complexes 4-Alkoxyphenyliminobenzoic acid induced phase DFT calculations mesomorphic Schiff base liquid crystals |
| title | Induced Phases of New H-bonded Supramolecular Liquid Crystal Complexes; Mesomorphic and Geometrical Estimation |
| title_full | Induced Phases of New H-bonded Supramolecular Liquid Crystal Complexes; Mesomorphic and Geometrical Estimation |
| title_fullStr | Induced Phases of New H-bonded Supramolecular Liquid Crystal Complexes; Mesomorphic and Geometrical Estimation |
| title_full_unstemmed | Induced Phases of New H-bonded Supramolecular Liquid Crystal Complexes; Mesomorphic and Geometrical Estimation |
| title_short | Induced Phases of New H-bonded Supramolecular Liquid Crystal Complexes; Mesomorphic and Geometrical Estimation |
| title_sort | induced phases of new h bonded supramolecular liquid crystal complexes mesomorphic and geometrical estimation |
| topic | supramolecular H-bonding complexes 4-Alkoxyphenyliminobenzoic acid induced phase DFT calculations mesomorphic Schiff base liquid crystals |
| url | https://www.mdpi.com/1420-3049/25/7/1549 |
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