Biphenyls embedded Schiff base-bis esters: self-assembling behaviour, impact of additional aromatic ring and ester linkage and their DFT investigations

Biphenyls embedded Schiff base-bis esters: self-assembling behaviour, impact of additional aromatic ring and ester linkage and their DFT investigations

In the present investigation, two series of biphenyl embedded Schiff base-bis esters alkyl-(E)-4-(((4'-(decyloxy)-[1,1'-biphenyl]-4-yl)methylene)amino)-benzoate, BPK-(2-18) and alkyl-(E)-4-(((4'-((4-(decyloxy)benzoyl)oxy)-[1,1'-biphenyl]-4-yl)-methylene)amino)benzoate, BPEK-(8-18...

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Bibliographic Details
Published in:Liquid crystals Vol. 51; no. 7; pp. 1215 - 1229
Main Authors: Soni, Rina, Nakum, Kiran J., Katariya, Kanu D., Gergis, Marium, Hagar, Mohamed, Sharma, Vinay S.
Format: Journal Article
Language:English
Published: Abingdon Taylor & Francis 27-05-2024
Taylor & Francis Ltd
Subjects:
Aromatic compounds
Aspect ratio
Benzoates
Biphenyl Schiff base
bis-ester
Density functional theory
DFT studies
Dipole moments
Esters
Imines
Liquid crystals
Methylene
Self-assembly
SmC/SmA mesophase
Thermal stability
VT-XRD analysis
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Summary:In the present investigation, two series of biphenyl embedded Schiff base-bis esters alkyl-(E)-4-(((4'-(decyloxy)-[1,1'-biphenyl]-4-yl)methylene)amino)-benzoate, BPK-(2-18) and alkyl-(E)-4-(((4'-((4-(decyloxy)benzoyl)oxy)-[1,1'-biphenyl]-4-yl)-methylene)amino)benzoate, BPEK-(8-18) containing either terminal alkoxy biphenyl core or central biphenyl core have been synthesised and studied for their self-assembling behaviour. The compounds of both series demonstrated enantiotropic liquid crystal properties, displaying typical calamitic mesophases (Smectic A (SmA), Smectic C (SmC)) across a broad temperature range and with high thermal stability. The bimorphic behaviour of new molecules has been investigated by VT-XRD analysis. The density function theory has been done to illustrate the experimental results of the mesomorphic properties of the studied compounds. Several parameters have been calculated such as molecular geometry, dipole moment, polarisability, aspect ratio, etc. The results showed that more planar compounds will attain more packed structures leading to the formation of more ordered smectic phases.
ISSN:0267-8292
1366-5855
DOI:10.1080/02678292.2024.2350044