TY - JOUR
T1 - Excited state Intramolecular Proton Transfer in Anthralin
T2 - Quantum Chemical Calculations and Fluorescence Spectra
AU - Møller, Søren
AU - Andersen, Kristine B.
AU - Spanget-Larsen, Jens
AU - Waluk, Jacek
PY - 1998
Y1 - 1998
N2 - Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results in an unusually large fluorescence Stokes shift of 10500 cm−1. The emission appears as a broad band with a maximum at 17500 cm−1 and is characterized by a low and nearly temperature-independent quantum yield. The results are interpreted as an indication of a large equilibrium geometry change upon excitation, associated with an excited-state intramolecular proton transfer process.
AB - Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results in an unusually large fluorescence Stokes shift of 10500 cm−1. The emission appears as a broad band with a maximum at 17500 cm−1 and is characterized by a low and nearly temperature-independent quantum yield. The results are interpreted as an indication of a large equilibrium geometry change upon excitation, associated with an excited-state intramolecular proton transfer process.
U2 - 10.1016/S0009-2614(98)00546-6
DO - 10.1016/S0009-2614(98)00546-6
M3 - Journal article
SN - 0009-2614
VL - 291
SP - 51
EP - 56
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -