Title of article :
Excited state proton transfer in 3,6-bis(4,5-dihydroxyoxazo-2-yl)benzene-1,2-diol
Author/Authors :
Enchev، نويسنده , , Venelin and Markova، نويسنده , , Nadezhda and Stoyanova، نويسنده , , Malinka and Petrov، نويسنده , , Petar and Rogozherov، نويسنده , , Marin and Kuchukova، نويسنده , , Nadya and Timtcheva، نويسنده , , Ilijana and Monev، نويسنده , , Valentin and Angelova، نويسنده , , Silvia and Spassova، نويسنده , , Milena، نويسنده ,
Abstract :
A theoretical and experimental study on the absorption and fluorescence properties of a newly synthesized compound 3,6-bis(4,5-dihydroxyoxazo-2-yl)benzene-1,2-diol in ethanol is reported. Evidence suggesting intramolecular proton transfer in the excited singlet state is presented. All possible tautomeric forms are studied by means of TDDFT B3LYP/6-31G(d,p) in both the ground and the first excited singlet state. On the basis of the results obtained excited state double proton transfer in the title compound is proposed.
