A systematic study of the third-order nonlinear optical co-crystal of bis-((diisopropyl)ammonium) dichromate: X-ray, Hirshfeld surface, Optical, and Mechanical analysis

•Bis-((diisopropyl)ammonium) dichromate co-crystals synthesized by slow evaporation.•X-ray diffraction, IR, optical and mechanical studies were reported.•Hirshfeld surfaces and fingerprint plots revealed all intermolecular interactions.•Estimated optical band gap: 4.08 eV, blue-yellow emission reported from PL spectrum.•Non-linear optical: Third Harmonic Generation was studied using Z-scan analysis. Flat squarish yellowish-orange single crystals of bis-((diisopropyl)ammonium) dichromate (BDIPADC) have been synthesized by solution technique. This paper reports its structural and morphological properties employing FTIR, single-crystal X-ray diffraction analysis. Intermolecular interactions present in the crystal are hereby determined from Hirshfeld surface (three-dimensional) and fingerprint plot (two-dimensional) studies. The mechanical strength of BDIPADC crystal was analyzed using Vickers micro-hardness technique. UV-Vis spectral analysis of BDIPADC crystal shows high transmittance in the visible region with a wide direct band gap of 4.08 eV. We further report non-linear absorption and refraction coefficients owing to third harmonics generation in the aforesaid crystal via Z-scan analysis. Furthermore, the photoluminescence spectrum of BDIPADC crystal records the emission bands at 472 and 578 nm peak positions lying in blue-yellow region, when excited at 390 nm wavelength. [Display omitted]