Synthesis, spectroscopic properties, and DFT correlative studies of 3,3′- carbonyl biscoumarin derivatives

Journal of Molecular Structure(2021)

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Abstract
•Photophysical properties of probes Bis-Coumarin derivatives have been investigated.•The probes are more polar in the excited state than the ground state.•HOMO-LUMO & Optical energy band gaps are in agreement with each other.•Chemical hardness studies suggest soft nature for the probes.•MESP plots exhibit both electrophilic & nucleophilic sites.
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Key words
Carbonyl biscoumarin,Dipole moments,HOMO-LUMO,Solvatochromism,Chemical hardness
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