Novel synthesis of nitro-acriflavine dye thin film by kinetics and mechanism of oxidation of acriflavine hydrochloride by permanganate ion: Characterization, optical properties and TD-DFT

Abstract

The oxidation of acriflavine hydrochloride (ACF) by neutral permanganate at pH ∼7 gave nitro derivatives of acriflavine (N-ACF) as a fluorescent dye. Physical vapor deposition (PVD) was used to transform the novel nanocomposite of ACF and N-ACF from its powder form into thin films of [ACF]TF and [N-ACF]TF. The [N-ACF]TF was synthesized via the oxidation of ACF by using KMnO4 in a pure water as a soft template. The structural characteristics were investigated using Fourier Transform Infrared spectroscopy (FTIR), Ultraviolet Visible spectrophotometer (UV–Vis) and X-Ray Diffraction (XRD). The average crystallite size of [ACF]TF and [N-ACF]TF are around 80.86 nm and 129.57 nm, respectively. The [ACF]TF exhibited an absorption peaks with intensity of 1.18 at λ ∼374 nm, which raised to 1.26 at λ ∼440 nm after oxidation to obtain [N-ACF]TF. As a result of the oxidation process, the absorption index and the bandgap (indirect/direct) of the [N-ACF]TF were changed significully. The molecular structure and frequency estimates for the crystal models and isolated molecules were optimised using the materials Studio 7.0 program on TDDFT/DMol3. The structure and the optical properties of the derived experimental and theoretical data are remarkably close. It is encouraging to use the [N-ACF]TF films in the manufacture of polymeric solar cells since improvements in optical characteristics have been made. Acriflavine hydrochloride has been used as an antimicrobial and anticancer agents. Again, ACF has been shown to have antitumor efficacy against a number of malignancies, including colorectal, pancreatic, and prostate. It's an antiseptic that's been employed in dual fluorescence detection of cellular DNA and protein at the same time.