The 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 E_T(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.

中文翻译：

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2H-吲唑衍生物的光物理，溶剂变色及其生物学意义的研究

通过计算和实验研究了取代的2 H-吲唑在孤立条件下和溶剂环境下的光物理行为，研究了它们的电子性质。在基态和激发态下执行具有CAM-B3LYP功能和6–311 ++ G **基集的DFT计算。通过跟踪稳态吸收，荧光激发和发射光谱，研究了溶剂对低能和高能电子态的影响。报告了溶剂变色相互作用，包括一般和特定的溶剂作用，以及Lippert和E _T（30）图的结果。还通过对接研究研究了这2 H-吲唑衍生物的生物学意义。2的相互作用据报道具有人类酪蛋白激酶（C2 K）alpha亚域II活性位点的H-吲唑衍生物。