Induced Phases of New H-bonded Supramolecular Liquid Crystal Complexes; Mesomorphic and Geometrical Estimation.
Molecules
; 25(7)2020 Mar 28.
Article
en En
| MEDLINE
| ID: mdl-32231036
ABSTRACT
New five rings architecture of 11 supramolecular hydrogen bonded (H-bonded) complexes were formed between 4-(2-(pyridin-4-yl)diazenyl-3-methylphenyl 4-alkoxybenzoates and 4-n-alkoxyphenyliminobenzoic acids. Mesomorphic and optical behaviors of three systems designed complexes were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). H-bonded interactions were confirmed via FT-IR spectroscopy. Computational calculations were carried out by density functional theory (DFT) estimation for all formed complexes. Experimental evaluations were correlated with the theoretical predictions and results revealed that, all prepared complexes possessing enantiotropic tri-mesophases with induced smectic C (SmC) and nematic temperature ranges. Moreover, DFT predicted for all formed supramolecular complexes possessing a non-linear bent geometry. Moreover, the π-π stacking of the aromatic rings plays an important role in the mesomorphic properties and thermal stabilities of observed phases. The energy changes between frontier molecular orbitals (HOMO and LUMO) and the molecular electrostatic potential (MEP) of the designed complexes were discussed and related to the experimental results.
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Colección:
01-internacional
Banco de datos:
MEDLINE
Asunto principal:
Sustancias Macromoleculares
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Enlace de Hidrógeno
Tipo de estudio:
Prognostic_studies
Idioma:
En
Revista:
Molecules
Asunto de la revista:
BIOLOGIA
Año:
2020
Tipo del documento:
Article
País de afiliación:
Arabia Saudita