Synthesis and characterization of tetradentate benzophenone derivative Schiff base and properties in different lyotropic media

A new Schiff base ligand of 6,6′-(1Z,1′Z)-(butane-1,4-diylbis(azanylyidene))bis (phenylmethanylylidene))bis(3-octyloxy) phenol) was synthesized and characterized using XRD and different spectroscopic analyses (FTIR, 1 H NMR, 13 C NMR, and UV-Vis.) DFT/B3LYP/6-31G(d,p) level of theory was applied suc...

Full description

Saved in:
Bibliographic Details
Published in:Molecular Crystals and Liquid Crystals 2024-01, Vol.768 (2), p.114-131
Main Authors: Suhta, Abdurrahman, Meral, Seher, Alaman Ağar, Ayşen, Sütay, Berkay, Vazquez Lopez, Ezequiel M., Çoruh, Ufuk
Format: Article
Language:English
Subjects:
Charge transfer
Chemical reactions
DFT calculations
Imines
Molecular orbitals
NBO
NMR
Nuclear magnetic resonance
Phenols
Schiff base
spectra and structure
Synthesis
XRD
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A new Schiff base ligand of 6,6′-(1Z,1′Z)-(butane-1,4-diylbis(azanylyidene))bis (phenylmethanylylidene))bis(3-octyloxy) phenol) was synthesized and characterized using XRD and different spectroscopic analyses (FTIR, 1 H NMR, 13 C NMR, and UV-Vis.) DFT/B3LYP/6-31G(d,p) level of theory was applied successfully to the present compound. Theoretically calculated parameters of the synthesized compound were compared with the experimentally obtained results. The optimized structure has been investigated using the same level of theory for various studies, including frontier molecular orbital analysis, molecular electrostatic potential, chemical reactivity indexes, natural bond orbital analysis, electrostatic potential, and the electrophilicity-based charge transfer with DNA bases.
ISSN:1542-1406
1563-5287
1527-1943
DOI:10.1080/15421406.2023.2243431