Excited-state hydrogen bonding effect on dynamic fluorescence of coumarin 102 chromophore in solution: A time-resolved fluorescence and theoretical study

Solvation and Protonation of Coumarin 102 in Aqueous Media: A Fluorescence Spectroscopic and Theoretical Study

“…The  a pK values were also computed with the aid of the Förster-cycle, which, in spite of its simplicity, provides good estimates for those quantities. We also note that the computational protocol employed in this study may be useful for the calculation of 19) for C102 show, the protonations of the ground as well as the excited state dye molecules are not significant in neutral or weakly acidic media, occurring in the great majority of pharmacokinetic and biochemical applications of this fluorescent probe. On the other hand, the relatively high fluorescence quantum yield and the large Stokes shift of its protonated form make this compound an attractive fluorescent probe also for more acidic environments, occurring e.g.…”

Faster photoinduced electron transfer in a diluted mixture than in a neat donor solvent: effect of excited-state H-bonding

“…19 Thereafter, Liu et al established similar excited-state hydrogen-bond strengthening phenomena for several coumarin-aniline H-bonded complexes. 20,21 Very recently, Han and co-workers demonstrated the importance of the excited state H-bonding dynamics in several photo-physical processes like PET, 11 intramolecular charge transfer (ICT), 22 metal-to-ligand charge transfer (MLCT). 23 Since H-bond dynamics occurs in sub-picosecond timescales, 15,17,18,[24][25][26][27][28] its effect would likely to be dominant in ultrafast electron transfer.…”

Coumarin 102 excitation in aqueous media: contributions of vibronic coupling and hydration

“…Later, these authors worked out in detail the issue of hydrogen bonding in electronically excited states for many different organic compounds and solvents (see review 44 ). As for C102, after work, 43 various authors have theoretically investigated using TD-DFT the effect of electronic excitation on its H-bonds with aniline, 45,46 methanol, 47,48 water, 35,47,49 ethanol, 47,50 acetonitrile and acetone. 47 We also note the only work, 51 in which the theoretical analysis of the interaction of C102 with strongly bound water was carried out using Monte Carlo rather than TD-DFT.…”