Structural Characterization and Second-Order Nonlinear Optical Behavior of Metal Complexes of Ferrocene Derivative
- Авторы: Deveci P.1, Taner B.1, Özcan E.1, Kılıç Z.1, Karakaya M.2, Karakas A.3
-
Учреждения:
- Department of Chemistry
- Department of Energy Systems
- Department of Physics
- Выпуск: Том 89, № 2 (2019)
- Страницы: 330-338
- Раздел: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222767
- DOI: https://doi.org/10.1134/S1070363219020269
- ID: 222767
Цитировать
Аннотация
In this manuscript, a ferrocene-linked vic-dioxime ligand (LH2) and its metal complexes [Ni(LH)2, Cu(LH)2, Co(LH)2(H2O)2, Cd(LH)(H2O)(Cl), and Zn(LH)(H2O)(Cl)] are synthesized, and their structures are studied by spectral methods. Redox behavior of the compounds is studied by cyclic voltammetry (CV). For approaching microscopic second-order nonlinear optical (NLO) behavior of the synthesized ligand and its diamagnetic Cd(II), Zn(II), Ni(II) complexes, the electric dipole moment μ, static dipole polarizability α, and first hyperpolarizability β values are computed using ab-initio quantum chemical procedure [finite field (FF)]. The accumulated data indicate that the compounds exhibit non-zero quadratic hyperpolarizability tensor components, implying microscopic NLO phenomena. The HOMOs, LUMOs and the HOMO—LUMO band gaps for first and second frontier orbitals of LH2 ligand and its Cd(II), Zn(II), Ni(II) complexes are evaluated by means of the Hartree-Fock (HF) method.
Ключевые слова
Об авторах
P. Deveci
Department of Chemistry
Автор, ответственный за переписку.
Email: pervindeveci@gmail.com
Турция, Konya, 42031
B. Taner
Department of Chemistry
Email: pervindeveci@gmail.com
Турция, Konya, 42031
E. Özcan
Department of Chemistry
Email: pervindeveci@gmail.com
Турция, Konya, 42031
Z. Kılıç
Department of Chemistry
Email: pervindeveci@gmail.com
Турция, Tandogan, Ankara, 06100
M. Karakaya
Department of Energy Systems
Email: pervindeveci@gmail.com
Турция, Sinop
A. Karakas
Department of Physics
Email: pervindeveci@gmail.com
Турция, Konya, 42031