Synthesis and characterization of tetradentate benzophenone derivative Schiff base and properties in different lyotropic media
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Tarih
2024
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Taylor & Francis Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
A new Schiff base ligand of 6,6 & PRIME;-(1Z,1 & PRIME;Z)-(butane-1,4-diylbis(azanylyidene))bis (phenylmethanylylidene))bis(3-octyloxy) phenol) was synthesized and characterized using XRD and different spectroscopic analyses (FTIR, H-1 NMR, C-13 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.
Açıklama
Anahtar Kelimeler
DFT calculations, NBO, Schiff base, spectra and structure, XRD, >
Kaynak
Molecular Crystals and Liquid Crystals
WoS Q Değeri
Q3
Scopus Q Değeri
Q4
Cilt
768
Sayı
2
