A study on improved synthetic strategy for novel triazino quinoline and its nonlinear optical properties

Abstract

Organic Light emitting diodes (OLED) are the emerging technology in the present era. Any molecule to acts as an OLED material, it should possess non-linear optical property. In this context, the synthesised novel 4′,7′-dimethyl-3-thioxo-1,2,4-triazinoquinolin-5-one and its derivatives IV(a-g) were studied for their nonlinear optical property theoretically using Gaussian 09. Synthesis of the targeted compounds were obtained from the potential precursors 2-chloro-4, 7-dimethylquinoline I(a-g). The synthesized compounds were characterized by FTIR, 1 HNMR and 13 CNMR spectral techniques. In prior to the synthesis molecular geometry and the probable active site for substitution/cyclisation were predicted by the theoretical investigation on the intermediate IIIa using B3LYP functional with 6-31G (d, p) basic set from the physical and chemical properties such as NBO analysis, Mulliken charges. The compounds III(a-g) and IV(a-g) are found to possess an appreciable Non Linear Optical property.