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dc.contributor.authorZakaria, Mohamed A.
dc.contributor.authorAlazmi, Mohammed
dc.contributor.authorKatariya, Kanubhai D.
dc.contributor.authorEl Kilany, Yeldez
dc.contributor.authorEl Ashry, El Sayed H.
dc.contributor.authorJaremko, Mariusz
dc.contributor.authorHagar, Mohamed
dc.contributor.authorMohammady, Sayed Z.
dc.date.accessioned2021-08-19T05:56:18Z
dc.date.available2021-08-19T05:56:18Z
dc.date.issued2021-08-18
dc.date.submitted2021-07-09
dc.identifier.citationZakaria, M. A., Alazmi, M., Katariya, K. D., El Kilany, Y., El Ashry, E. S. H., Jaremko, M., … Mohammady, S. Z. (2021). Mesomorphic Behaviour and DFT Insight of Arylidene Schiff Base Liquid Crystals and Their Pyridine Impact Investigation. Crystals, 11(8), 978. doi:10.3390/cryst11080978
dc.identifier.issn2073-4352
dc.identifier.doi10.3390/cryst11080978
dc.identifier.urihttp://hdl.handle.net/10754/670682
dc.description.abstractA new series of Schiff base liquid crystal have been prepared and studied. Schiff bases of p-alkyl aniline derivatives and 4-phenyl pyridine-4′-carbaldehyde were prepared. The terminal alkyl groups substituting aniline are of varied chain length, namely C8, C12 and C14. The structures of the compounds were elucidated by 1H NMR and 13C NMR. The mesomorphic thermal and optical characteristics of the samples were determined via differential thermal analysis (DSC) and polarization optical microscopy (POM). All compounds exhibit enantiotropic dimorphic mesophase behaviour, referred to as smectic X1 (SmX1) and smectic X2 (Sm A). Experimental results obtained for the mesophases were correlated with density functional theory (DFT) theoretical calculations. The results of the new series are further compared to two series of compounds bearing pyridine (two ring Schiff bases) and biphenyl, respectively, in their mesogens. The series of compounds of one pyridine ring are generally not mesomorphic. The results indicate that the alkyl chain length has a strong impact on the mesomorphic characteristics and thermal stabilities of the different mesophases. As a trend, the temperature ranges of both of smectic mesophases of all compounds are higher in new compounds bearing the 4-phenyl pyridine moiety. In addition, the total mesophase range is generally higher in the new compounds when compared to their biphenyl analogues. Finally, theoretical DFT calculations were performed to illustrate the experimental finding of the mesomorphic behaviour in terms of the molecular geometry and aromaticity, π–π stacking and LOL-π.
dc.description.sponsorshipThe authors extend their appreciation to the Researchers Supporting Project number (RSP-2021/402), King Saud University, Riyadh, Saudi Arabia.
dc.description.sponsorshipThis research was funded by King Saud University, Riyadh, Saudi Arabia. Project number (RSP-2021/402).
dc.publisherMDPI AG
dc.relation.urlhttps://www.mdpi.com/2073-4352/11/8/978
dc.rightsThis article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.titleMesomorphic Behaviour and DFT Insight of Arylidene Schiff Base Liquid Crystals and Their Pyridine Impact Investigation
dc.typeArticle
dc.contributor.departmentBiological and Environmental Science and Engineering (BESE) Division
dc.contributor.departmentBioscience Program
dc.identifier.journalCrystals
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionDepartment of Chemistry, Faculty of Science, Alexandria University, Alexandria 21321, Egypt.
dc.contributor.institutionDepartment of Chemistry, Faculty of Science, the Maharaja Sayajirao University of Baroda, Vadodara 390002, Gujarat, India.
dc.contributor.institutionDepartment of Chemistry, College of Sciences, Taibah University, Yanbu 46423, Saudi Arabia.
dc.contributor.institutionDepartment of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.
dc.identifier.volume11
dc.identifier.issue8
dc.identifier.pages978
kaust.personJaremko, Mariusz
dc.date.accepted2021-08-14
refterms.dateFOA2021-08-19T05:57:27Z


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This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.
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