Solvent effects on the electronic and optical properties of Ni(II), Zn(II), and Fe(II) complexes of a Schiff base derived from 5-bromo-2-hydroxybenzaldehyde
    
Yazarlar (5)
Kenan Buldurun
Muş Alparslan Üniversitesi, Türkiye
Prof. Dr. Emine TANIŞ Kırşehir Ahi Evran Üniversitesi, Türkiye
Nevin Turan
Muş Alparslan Üniversitesi, Türkiye
Naki Çolak
Hitit University, Türkiye
Nevin Çankaya
Usak University, Türkiye
Makale Türü Açık Erişim Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Chemical Research (Q4)
Dergi ISSN 1747-5198 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili Türkçe Basım Tarihi 01-2021
Cilt / Sayı / Sayfa 45 / 7 / 753–759 DOI 10.1177/1747519821995424
Makale Linki http://dx.doi.org/10.1177/1747519821995424
Özet
In this article, the electronic, optical, and charge transfer properties of a Schiff base ligand prepared using 5-bromo-2-hydroxybenzaldehyde and ethyl 6-acetyl-2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (C19H19BrN2O4S) and its Fe(II) (C19H30BrN2O10SClFe), Ni(II) (C19H28BrN2O9SClNi), and Zn(II) (C19H28BrN2O9SClZn) complexes are described based on different solvents environments and supported by theoretical calculations. Theoretical calculations are carried out using density functional theory (DFT/UB3LYP/LANL2DZ). The optical densities, optical band gaps, and refractive indices of the ligand and its Fe(II), Ni(II), and Zn(II) complexes in different solvent environments are obtained. The reorganization energies are calculated to determine the charge transfer rate of the studied compounds using both experimental and theoretical data. These experimental and theoretical results show that the ligand and its metal complexes can be used for optoelectronic applications and charge transfer materials in organic light-emitting diode applications.
Anahtar Kelimeler
charge transfer properties | metal complexes | nonlinear optical properties | optical parameters | Schiff base