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Mesomorphic, micro-Raman and DFT studies of new calamitic liquid crystals; Methyl 4-[4-(4-alkoxy benzoyloxy)benzylideneamino]benzoates

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dc.contributor.authorNandi, Rajib
dc.contributor.authorSingh, Hemant Kumar
dc.contributor.authorSingh, Sachin Kumar
dc.contributor.authorSingh, Bachcha
dc.contributor.authorSingh, Ranjan K.
dc.date.accessioned2025-03-03T05:23:04Z
dc.date.available2025-03-03T05:23:04Z
dc.date.issued2014
dc.description.abstractThe mesomorphic properties of newly synthesized homologous series of calamitic liquid crystals; methyl 4-[4-(4-alkoxy benzoyloxy)benzylideneamino] benzoates, H2n+1CnOC 6H4COOC6H4C(H)N C6H 4COOCH3; n = 6, 8, 10, 12, 14, 16 (MABBAB-n) containing ester and Schiff base groups as linker have been studied by temperature dependent micro-Raman study, differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). All members of this series exhibit enantiotropic smectic A (SmA) mesophase with oily streak and focal conic textures. Analyses of Raman marker bands of phenyl rings, Schiff base and ester groups of MABBAB-10 confirm the phase transitions. The Raman study also gives an evidence of breaking of weak intermolecular hydrogen bonds associated with ester groups and formation of new hydrogen bonds through CN bond at Cr → SmA phase transition. The monomer and dimer were optimized and vibrational assignment of MABBAB-10 was also done with density functional theoretical (DFT) technique to understand the experimental results. © 2014 Elsevier Ltd. All rights reserved.
dc.identifier.doihttps://doi.org/10.1016/j.saa.2014.02.112
dc.identifier.issn13861425
dc.identifier.urihttps://dl.bhu.ac.in/ir/handle/123456789/76791
dc.publisherElsevier
dc.subjectDifferential scanning calorimetry
dc.subjectLiquid crystals
dc.subjectPolarizing optical microscopy
dc.subjectRaman spectroscopy
dc.subjectSmectic A mesophase
dc.titleMesomorphic, micro-Raman and DFT studies of new calamitic liquid crystals; Methyl 4-[4-(4-alkoxy benzoyloxy)benzylideneamino]benzoates
dc.typeArticle
dspace.entity.typePublication
journal.titleSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
journalvolume.identifier.volume128

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2014