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Photophysics of 3-Substituted Benzanthrones: Substituent and Solvent Control of Intersystem Crossing
Authors: Kapusta Petr | Machalický Oldřich | Hrdina Radim | Nepraš Miloš | Zimmt Matthew | Fidler Vlastimil
Year: 2003
Type of publication: článek v odborném periodiku
Name of source: Journal of Physical Chemistry A
Publisher name: American Chemical Society
Place: Washington
Page from-to: 9740-9746
Titles:
Language Name Abstract Keywords
cze
eng Photophysics of 3-Substituted Benzanthrones: Substituent and Solvent Control of Intersystem Crossing The solvent dependence of absorption and fluorescence spectra, fluorescence lifetimes, and quantum yields of various 3-substituted benzanthrone derivatives have been investigated. A consistent correlation between fluorescence quantum yields and emitting state energy has been found that holds for all 6 derivatives in 11 solvents. The experimental data tohether with the results of semiempirical quantum chemical calculations indicate that the main quenching chanel of the fluorescent S1(pi, pi*) excited state is intersystem crossing to an upper (n, pi*) triplet state, Tn. The rate constant and efficiency of intersystem crossing between these two states are strongly influenced by the substituent and by the solvent polarity, as both modulate the singlet state energy and the S1 - Tn energy gap. The rate constant of direct S1 - T1 intersystem crossing is small in most systems but appears to increase with a decrease in the energy of the S1 state. Absorption spectra, Fluorescence spectra, Fluorescence lifetimes, Quantum yields, 3-Benzanthrone derivatives, Semiempirical quantum chemical calculations, Rate constant, Efficiency of intersystem crossing.