Abstract
AbstractThe electronic properties of substituted 2H‐indazoles were investigated for their photophysical behavior under isolated conditions and in solvent environment, both computationally and experimentally. DFT calculations with CAM−B3LYP functional and 6–311++G** basis set were performed in the ground and excited states. The effect of solvents on the low and high energy electronic states was studied by following the steady state absorption and fluorescence excitation and emission spectra. Solvatochromic interactions including general and specific solvent effects are reported along with the results of Lippert and ET(30) plots. The biological significance of these 2H‐indazole derivatives was also investigated through docking studies. The interactions of 2H‐indazole derivatives with the active site of subdomain II of human casein kinase (C2 K) alpha are reported.
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