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In this article, we report the structural and optical properties of zirconium oxide (ZrO 2 ) nanoparticles synthesized via chemical co-precipitation method. The effect of calcination temperature on structural and optical properties of ZrO 2 nanoparticles is investigated through XRD, FESEM, EDX, FTIR, UV-Vis absorption, fluorescence emission and life time measurements. XRD spectrum reveals the tetragonal phase at calcination temperature 600°C and crystallinity of samples increases with calcination temperature. At 800°C the phase transition from tetragonal to tetragonal-monoclinic mixed phase is noticed. The FESEM images show the particles are of irregular shape and highly agglomerated. FTIR spectra also confirm the formation of ZrO 2 in crystalline phase. From UV-vis absorption spectra it is found a strong quantization and varying band gap with calcination temperature. The change in emission wavelength and intensity with phase change is observed form fluorescence emission spectra. At higher calcination temperature emission intensity is decreased which may be due to the phase change and the formation of surface defects. The life time measurements also reveal the different trap states and life time with calcination temperature.

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Mild and efficient synthesis of 5‐methyl‐4‐[(2Z)‐4‐(2‐oxo‐2H‐chromen‐3‐yl)‐2‐(4‐arylimino)thiazol‐3(2H)‐yl]‐2‐(4‐aryl)‐2H‐1,2,4‐triazol‐3(4H)‐ones 7(h–s) has been developed using microwave assisted multicomponent route. The molecular structures of these novel compounds were characterized and the photophysical and thermal properties were investigated elaborately using absorption, fluorescence, fluorescence decay lifetimes and thermo gravimetric analysis. Solvatochromism was studied as a function of polarity of the solvents. The ground and excited states of electronic geometric optimizations were computed using density functional theory (DFT and TD‐DFT). The orientation of atomic orbitals and their energies were supported by HOMO‐LUMO calculations. Electrostatic potential (ESP) maps indicated the electron density predicting the reactive sites. Compounds 7(h–s) were docked into the epidermal growth factor receptor (EGFR) tyrosine kinase domain which formed a stable complex with good C‐score values. The title compounds were evaluated for their anticancer activity against A549, MDA‐MBA‐231, HeLa and K562 cancer cell lines which showed sensitivity against most of the tested compounds.

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