Solvent modulated photophysics of 9-methyl anthroate: Exploring the effect of polarity and hydrogen bonding on the emissive state

• Solvatochromic behavior of 9-MA exploited by fluorimetry.
• Evidence of the emissive state to be the Franck–Condon state.
• Multiple linear regression analysis to quantify the effect of hydrogen bonding.
• Urea induced H-bonding disruption study.
• Theoretical calculations to support the experimental findings.

Photophysical properties of an anthracene derivative 9-methyl anthroate (9-MA) have been investigated using absorption and emission spectroscopy, in combination with quantum chemical calculations. Solvatochromic effects on the Stokes shifted emission band clearly demonstrate the highly polar character of the excited state, which is also supported by the enhancement of dipole moment of the molecule upon photoexcitation. The emission band has been found to be dependent on polarity and hydrogen-bonding ability of the solvents. Multiple linear regression analysis method has been utilized to rationalize the effect of hydrogen bonding interaction on the emissive state, which was further confirmed by the analysis of the non-radiative decay constants and urea induced H-bonding disruption study. The experimental results correlate well with theoretical predictions obtained via density functional theory (DFT).

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