Publication: Mesomorphic, micro-Raman and DFT studies of new calamitic liquid crystals; Methyl 4-[4-(4-alkoxy benzoyloxy)benzylideneamino]benzoates
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Date
2014
Journal Title
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Journal ISSN
Volume Title
Publisher
Elsevier
Abstract
The 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.
Description
Keywords
Differential scanning calorimetry, Liquid crystals, Polarizing optical microscopy, Raman spectroscopy, Smectic A mesophase