Abstract:We have studied the particular features of the spectral and fluorescent properties of 6 isoxazolyl 7 hydroxycoumarin and its 7 methoxy substituted analog in aprotic and proton donor solvents of different polarity. Changes in the electron charge and bond orders in the ground and first excited states have been ana lyzed by the ab initio DFT and TDDFT quantum chemical methods with the B3LYP/6 31G(d,p) basis set. Based on this analysis, we have analyzed anomalously high Stokes shifts, the shape of vibronic bands, … Show more
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