A study on improved synthetic strategy for novel triazino quinoline and its nonlinear optical properties. (2021)

• Record Type: Journal Article
• Authors: Namitha, R; Elakkiya, S.; Selvi, G
• Is Part Of: Materials today. Volume 40(2021)Supplement Part 1
• Page Start: S107
• Page End: S116
• Publication Date: 2021
• Subjects: Triazine -- Nonlinear optical -- Thiosemicarbazone -- Mulliken charges -- Optical properties; Materials science -- Congresses -- Periodicals; 620.1
• DOI: 10.1016/j.matpr.2020.04.125
• Languages: English
• ISSNs: 2214-7853

Abstract

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.