Publication: Mesomorphic and DFT studies of terminal ester containing salicylaldimines and their copper (II) complexes
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Date
2017
Journal Title
Molecular Crystals and Liquid Crystals
Journal ISSN
Volume Title
Publisher
Taylor and Francis Inc.
Abstract
In this article, we report synthesis and characterization of a novel homologous series of butyl 4-(4′-(alkoxy)-2-hydroxybenzylideneamino)benzoates, CnLH (n = 6, 8, 10, 12, 14, 16) and their copper(II) complexes. The mesomorphic properties of these compounds were investigated by differential scanning calorimetry (DSC), polarizing optical microscopy (POM) and powder X-ray diffraction (XRD) studies. The ligands and their copper(II) complexes exhibit wide range of enantiotropic smectic A mesophase as confirmed by their typical optical texture under polarizing microscope. Thermal stability of the compounds is determined by thermo gravimetric analyses. DFT calculations have been performed using GAUSSIAN-09 program at B3LYP level to obtain the stable electronic structure of the ligand and its copper(II) complex. © 2017 Taylor & Francis Group, LLC.
Description
Keywords
Copper complexes, density functional theory, metallomesogens, salicylaldimine, structure‒property correlation