A novel ionic stilbazolium derivative single crystal of 4-N,N-dimethylamino-4-N-methyl stilbazolium 2-formyl benzene sulfonate (DSFS) was successfully cultivated with methanol as the solvent by using the slow evaporation technique. Structural confirmation was done using single-crystal X-ray diffraction (SCXRD), and the obtained results reveal that the DSFS crystal crystallized in a centrosymmetric pattern with P1̄ space group. The presence of different vibrational modes in the DSFS crystal is affirmed via Fourier transform infrared (FTIR) spectroscopy. Linear optical constants such as cut-off wavelength, bandgap, extinction coefficient, Urbach energy, electrical conductivity and optical conductivity of the titular crystal were found from ultraviolet-visible-near infra-red spectroscopy (UV-Vis-NIR). The emission wavelength of the title crystal lies in the red region (620 nm), which was confirmed from the photoluminescence spectroscopy (PL). The surface nature of the grown ionic crystal was examined through the etching and atomic force microscopy (AFM) technique. With a He-Ne laser as the source, Z scan analysis was carried out to study the third-order nonlinear properties of the DSFS crystal.
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