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Investigation on Photophysical, Solvatochromism and Biological Significance of Substituted 2 H ‐Indazole Derivatives
Author(s) -
Roniboss Anthonisamy,
Chanda Kaushik,
Motilal Balamurali Musuvathi
Publication year - 2020
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.202001477
Subject(s) - solvatochromism , indazole , excited state , chemistry , photochemistry , fluorescence , solvent , solvent effects , computational chemistry , stereochemistry , organic chemistry , atomic physics , physics , quantum mechanics
The electronic properties of substituted 2 H ‐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 2 H ‐indazole derivatives was also investigated through docking studies. The interactions of 2 H ‐indazole derivatives with the active site of subdomain II of human casein kinase (C2 K) alpha are reported.