DETERMINATION OF LINEAR AND NONLINEAR OPTICAL BEHAVIOUR OF NOVEL TETRAAZAMACROCYCLE DERIVATIVES
- 1. Selcuk University, Faculty of Sciences, Department of Physics, Campus, Konya, Turkey,
- 2. Selcuk University, Faculty of Sciences, Department of Physics, Campus, Konya, Turkey,
Abstract: In this study; the electric dipole moments, static first and hyperpolarizabilities, dynamic linear polarizabilities, first and second hyperpolarizabilities of the title tetraazamacrocycle compounds, (6E,8E,15E,17E)-7,16-bis(3,3-dimethyl-3H-indol-2-yl)-2,3,11,12-tetrakis(octyloxy)-5,14-dihydrodibenzo[b,i][1,4,8,11]tetraazacyclotetradecine (1) and (6E,8E,15E,17E)-7,16-bis(3,3-dimethyl-3H-pyrrolo[3,2-h]quinolin-2-yl)-2,3,11,12-tetrakis(octyloxy)-5,14-dihydrodibenzo[b,i] [1,4,8,11] tetraazacy clotetradecine (2), have been calculated using ab-inito and density functional theoery (DFT) methods. The measured one-photon absorption wavelengths for 1 and 2 are consistence with the theoretically obtained values using time-dependent Hartree-Fock (TDHF) technique. The nonlinear optical results computed here have been compared with the experimental data previously reported in the literature.