Facile synthesis and photodetection characteristics of novel nanostructured triazinyliminomethylpyrano[3,2-c]quinoline-based hybrid heterojunction

• Published in: Journal of molecular structure 2020-12, Vol.1221, p.128868, Article 128868
• Main Authors: Farag, A.A.M., Halim, Shimaa Abdel, Roushdy, N., Badran, Al-Shimaa, Ibrahim, Magdy A.
• Format: Article
• Language: English
• Subjects: Condensation reaction; MO-calculation; Optical band gap Photodiodes; TD-DFT; Thin films
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2020.128868

•Nanostructured of MTIMPQ was synthesized and well-characterized.•Molecular orbital and structure optimization were achieved by using DFT analysis.•Thin films of MTIMPQ showed direct allowed energy gap of 2.77 eV.•A significant device performance and photodiode characteristics were discussed. This paper attempts to show a correlation between the structure of a novel quinolone derivative and the optical applications of the prepared devices. Currently, condensation reaction of 6-methyl-4,5-dioxo-5,6-dihydro-4H-pyrano[3,2-c] quinoline-3-carboxaldehyde (1) with 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (2) gave a new Schiff base; 6-methyl-3-{[(6-methyl-5-oxo-3-thioxo-2,5-dihydro-1,2,4-triazine-4(3H)-yl)imino]methyl}-4H-pyrano[3,2-c]quinoline -4,5(6H)-dione (MTIMPQ, 3). Debt (MTIMPQ, 3) was inferred based on an accurate spectral element analysis and spectral data. The unique simulation characteristics of the MTIMPQ were achieved by density function theory, DFT and TD-DFT/ B3LYP, using a baseline group 6-311++ G (d, p). Thin films of MTIMPQ were prepared with a low-cost, high-quality topography, examined by scanning electron microscopy and X-ray diffraction. The optical parameters of the films were obtained from the spectrophotometric investigation, which has a great role in the photodiode application. By correlating the fundamental absorption through the visible and UV-spectra with the optical band gap, the value of the energy gap of MTIMPQ is found to be 2.70 eV and confirmed by various methods. Moreover, the J-V properties of the MTIMPQ film-based devices were investigated in the dark and under various illuminations, and distinct response to incident light was obtained, confirming the possibility of using the prepared devices for photodetector applications. [Display omitted]