Rubrene chemical structure

Fig. 6 Absorbance spectra for solution (dotted trace) and thin film (solid trace) samples of rubrene in the upper panel and tetracene in the lower panel. Molecular aggregation in the tetracene thin film gives rise to the splitting of its absorption bands. Inset are chemical structures for rubrene and tetracene...

Due to the bulky phenyl substituents attached to the side of the tetracene backbone (see Figure 1.1), weak intermolecular interactions are a priori expected in rubrene. The large carrier mobilities that are observed are thus surprising fi-om that standpoint. Therefore, in order to elucidate the origin of these mobilities and of their marked anisotropy along the crystallographic axes, we have performed quantum-chemical calculations of the electronic structure of rubrene [29] we discuss the results of these calculations below and also make comparisons of tetracene and pentacene. 

Free coumarin dye is emissive, but complexation of the (7 -cp)Ru moiety to the coumarin chromophore inhibits reorganization of the dye to its polar form in the intramolecular charge transfer (ICT) excited state, thereby resulting in nonemissive complexes in which the MLCT or d-d excited states are lowest in energy. Similarly, the multiple substitution of (ri -cp )Ru on rubrene can also impart new structural, photophysical, and chemical properties to the rubrene molecule. ... 

---