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The mechanism of heavy-atom effect on organic blue TADF emitters is investigated using a combined Arrhenius and Marcus theories approach. Basic molecular design principles of such hybrid organic TADF materials are formulated.

Solvatochromic probes are often used in biophysical studies to obtain information about polarity of the microenvironment. As there is not much natural fluorophores with such properties, there is still need for new synthetic compounds such as 3-(2-benzoxazol-5-yl)alanine derivatives. Among this group of non-proteinogenic fluorescent amino acids especially interesting are 3-[2-(4-aminophenyl)benzoxazol-5-yl]alanine derivatives whose solvatochromism depends on the substituents on the nitrogen atom, as revealed by our recent studies. To expand them we synthesized two new derivatives with an N-phenylcarbazole moiety in position 2 of the benzoxazole ring and studied their photophysical properties in solvents of different polarity and ability to form hydrogen bonds using absorption and steady-state and time-resolved fluorescence spectroscopy. Applying single parameter and multi-linear correlations with different solvent parameters, the excited state dipole moments were determined as well as the influence of solvent parameters on each photophysical property was estimated. Moreover, the geometry of compounds and vertical absorption transition were theoretically calculated (DFT and TD DFT methods). It was found that the place of substitution of the N-phenylcarbazole part by the benzoxazole unit determines the character of the electron transition (π-π* or ICT) and thereby the spectral and photophysical properties of the compounds studied.

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The effect of temperature on the fluorescence properties of 1,8-diphenyl-1,3,5,7-octatetraene (DPO) in polyvinyl alcohol) film (PVA) was investigated in the range from 295 to 428 K. Upon heating above 353 K, the quantum yield of D PO increases rapidly. This effect is irreversible, similarly as the optical density in the long wavelength absorption band (320-440 nm). It has its origin in the cis-trans conversion of DPO molecules in PVA film at high temperatures. The behaviour of the fluorescence anisotropy in the same temperature range was also investigated. The emission anisotropy was found to be a viscosity indicator in the microenvironment of the DPO molecules in PVA film.