THE INVESTIGATION OF FIRST HYPERPOLARIZABILITIES OF BENZALDEHYDE-4-NITRO PHENYL HYDRAZONE DERIVATIVE
Author(s): Aysenur Ordukaya1, Mustafa Karakaya2, Yusuf Ceylan3, Nuretdin Eren4, Mehmet Taser5, Aysun Gozutok6, Asli Karakas7
- 1. Selcuk University, Faculty of Sciences, Department of Physics, 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 microscopic second-order nonlinear optical (NLO) behaviour of benzaldehyde-4-nitro phenyl hydrazone derivative with donor substituent chlorine, we have computed electric dipole moment and static first hyperpolarizability values using ab-initio quantum mechanical procedure (finite field). Theoretical calculations offer a quick and inexpensive way of predicting the NLO responses of the materials especially during the design of new materials. According to the results of finite field computations, the investigated compound exhibits non-zero quadratic hyperpolarizability tensor components, implying microscopic NLO phenomena.