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The mesomorphic properties of newly synthesized homologous series of calamitic liquid crystals; methyl 4-[4-(4-alkoxy benzoyloxy)benzylideneamino]benzoates, H(2n+1)C(n)OC6H4COOC6H4C(H)=N C6H4COOCH3; 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. Copyright © 2014 Elsevier B.V. All rights reserved.


Rajib Nandi, Hemant Kumar Singh, Sachin Kumar Singh, Bachcha Singh, Ranjan K Singh. Mesomorphic, micro-Raman and DFT studies of new calamitic liquid crystals; methyl 4-[4-(4-alkoxy benzoyloxy)benzylideneamino]benzoates. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 2014 Jul 15;128:248-56

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PMID: 24674915

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