文摘
4-(4′-(4″-nitrophenyl) azo-3′-amino-1′-phenylpyrazole-5-ylazo)-3-methyl-1-pheylpyrazole-5-one molecule was synthesized. The structure of the dye was confirmed. The vibrational frequencies, chemical shifts and wavelength was calculated by DFT method. Density of the state diagrams and HOMO, LUMO energy gap was analysed.