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This paper reports an investigation on ground and excited state preferential solvation index (i.e., δs2) and relative quantum yield of 2‐acetyl‐3H‐benzo[f]chromen‐3‐one (2AHBC) molecule. The title molecule shows negative values of preferential solvation index in the ground state in different binary solvent mixtures, this confirms that molecule under study is preferentially solvated by 1,4‐dioxane (DXN) rather than acetonitrile (ACN). The excited state preferential solvation index is found to be positive which signifies strong predomination of solute–solvent interaction. Synergistic effect is confirmed by the higher values of fluorescence wave maximum in DXN and ACN solvents for 2AHBC. Further, quantum yield of 2AHBC molecule is estimated in solvents of different polarities. It is found that, non‐radiative decay constant is more than the radiative decay constant in all the solvents. This is attributed due to intermolecular forces between hydrogen atoms. Relative quantum yield of 2AHBC is found to be inversely proportional to the polarity of the solvents. This is due to the intermolecular charge transfer and bathochromic effect. Whereas, the influence of viscosity of the solvents on quantum yield of 2AHBC is studied and it is confirmed by the Forster–Hoffmann equation.

The present study harnesses fluorescence quenching between a nonfluorescent aniline and fluorophore 2-acetyl-3 H -benzo[ f ]chromen-3-one [2AHBC] in binary solvent mixtures of acetonitrile and 1,4-dioxane at room temperature and explores the fluorophore as an antimicrobial material. Our findings throw light on the key performance of organic molecules in the medicinal and pharmaceutical fields, which are considered as the most leading drives in therapeutic applications. In view of that, fluorescence quenching data have been interpreted by various quenching models. This demonstrates that the sphere of action holds very well in the present work and also confirms the presence of static quenching reactions. Additionally, the fluorophore was first investigated for druglike activity with the help of in silico tools, and then it was investigated for antimicrobial activity through bioinformatics tools, which has shown promising insights.

A study on fluorescence quenching was carried out for the coumarin derivative 2-acetyl-3H-benzo[f]chromen-3-one (2AHBC) with aniline at room temperature. Efficient fluorescence quenching was observed and Stern-Volmer (S-V) plots showed upward curves from linearity in all solvents of different polarities. For the solute 2AHBC, ground state complex formation does not hold in our study. The kinetic distance (r) value was found to be greater than the encounter distance (R) and indicated that the quenching reaction was held within the sphere of action. Diffusion-limited reactions were found to be more prominent in high polarity solvents, namely dimethyl sulfoxide (DMSO), DMF, ACN, methanol, ethanol, propanol and DCM. The relationships between quenching constant (K ) and dielectric constants (ε) of the different solvents were studied.

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