THEORETICAL INVESTIGATIONS ON STATIC FIRST HYPERPOLARIZABILITIES OF N,N’-DIBENZYLIDENE-4-BROMOBENZENE-1,2-DIAMINE
Author(s): Ziya Erdem Koc1, Mustafa Karakaya2, Yusuf Ceylan3, Nuretdin Eren4, Mehmet Taser5, Aysun Gozutok6, Asli Karakas7
- 1. Selcuk University, Faculty of Sciences, Department of Chemistry, Campus, Konya, Turkey
- 2. Department of Energy Systems, Faculty of Engineering & Architecture, Sinop University, Sinop 57000, Turkey
- 3. Selcuk University, Faculty of Sciences, Department of Physics, Campus, Konya, Turkey
- 4. Selcuk University, Faculty of Sciences, Department of Physics, Campus, Konya, Turkey
- 5. Selcuk University, Faculty of Sciences, Department of Physics, Campus, Konya, Turkey
- 6. Selcuk University, Faculty of Sciences, Department of Physics, Campus, Konya, Turkey
- 7. Selcuk University, Faculty of Sciences, Department of Physics, Campus, Konya, Turkey
Abstract: To investigate second-order nonlinear optical (NLO) phenomena of N,N’-dibenzylidene-4-bromobenzene-1,2-diamine, the electric dipole moment and static second-order hyperpolarizability values have been calculated by means of Finite Field (FF) procedure. The basic structure of the title material is based on the -bond system, due to the overlap of -orbital delocalization of electronic charge distribution leads to a high mobility of the electron density. The computation results with non-zero values on first hyperpolarizability indicate that the examined compound might possess microscopic second-order NLO behaviour.