Singlet exciton fission in pure and doped anthracene

Abstract

On the basis of the kinetic model by Merrifield for triplet exciton fusion in molecular crystals, we have derived an expression which describes the reciprocal process, i.e., the anisotropy of the prompt fluorescence in the presence of singlet exciton fission in a magnetic field. For the first time a thorough comparison of Merrifield’s theory with singlet exciton fission experiments is made. The theory is compared with experimental data for the case of homofission in pure anthracene crystals as well as for the case of heterofission in anthracene crystals doped with tetracene. The resulting kinetic parameters for the fission process have almost the same values as those for triplet fusion. The origin of a discrepancy between theory and experiment along certain crystallographic axes is discussed.

Prediction of excited‐state properties of oligoacene crystals using polarizable continuum model‐tuned range‐separated hybrid functional approach

“…Oligoacenes are promising candidates for optoelectronics applications such as organic thin‐film transistors and organic solar cells . The larger acenes, that is, from anthracene to hexacene, are well‐known to possess relatively high charge‐carrier mobilities and so‐called singlet fission phenomenon which is proved to be an efficient way to achieve high‐efficiency organic photovoltaics . A fundamental understanding of their nature of excited states is of central importance for potential materials design and also for interpretation of interesting photophysical processes .…”

Competition between Singlet Fission and Charge Separation in Solution-Processed Blend Films of 6,13-Bis(triisopropylsilylethynyl)pentacene with Sterically-Encumbered Perylene-3,4:9,10-bis(dicarboximide)s

“…Singlet fission was first proposed in 1965 to explain delayed fluorescence in anthracene crystals, then invoked in crystalline tetracene to rationalize its low fluorescence quantum yield, and subsequently confirmed in pentacene crystals . Singlet fission has been observed in mixed crystals (heterofission) of anthracene doped with tetracene and pentacene doped with tetracene . More recently, crystalline p -terphenyl, p -sexiphenyl, tetracyano- p -quinodimethane, , 1,3-diphenylisobenzofuran, perylene, benzophenone, and rubrene have all been shown to undergo singlet fission with triplet quantum yields (Φ T ) ranging from 6 to 200%.…”

Singlet Fission for Dye-Sensitized Solar Cells: Can a Suitable Sensitizer Be Found?

“…It was subsequently invoked to account for the thermally induced fluorescence quenching in crystalline tetracene and confirmed beyond doubt by several studies of tetracene and pentacene crystals in rapid succession. − This early work has been reviewed with particular emphasis on magnetic field effects . More detailed studies of polyacene crystals followed. − More recently, singlet fission has been observed in crystalline benzophenone and p -sexiphenyl , …”