Synthesis and characterization of tetradentate benzophenone derivative Schiff base and properties in different lyotropic media
Yazarlar (6)
Abdurrahman Suhta
Sinop Üniversitesi, Türkiye
Dr. Öğr. Üyesi Seher MERAL Sinop Üniversitesi, Türkiye
Prof. Dr. Ayşen Alaman Ağar Ondokuz Mayıs Üniversitesi, Türkiye
Dr. Öğr. Üyesi Berkay Sütay Istanbul Teknik Üniversitesi, Türkiye
Ezequiel M. Vazquez Lopez
Universidade De Vigo, İspanya
Prof. Dr. Ufuk Çoruh Sinop Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Molecular Crystals and Liquid Crystals (Q3)
Dergi ISSN 1542-1406 Dergi Bilgileri (2023)
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili Türkçe Basım Tarihi 08-2023
Kabul Tarihi – Yayınlanma Tarihi 08-08-2023
Cilt / Sayı / Sayfa 768 / 2 / 114–131 DOI 10.1080/15421406.2023.2243431
Makale Linki http://dx.doi.org/10.1080/15421406.2023.2243431
UAK Araştırma Alanları
Fiziksel Kimya
Özet
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, 1H NMR, 13C 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.
Anahtar Kelimeler
DFT calculations | NBO | Schiff base | spectra and structure | XRD