Why does the presence of silicon atoms improve the emission properties of biphenyl derivatives? - Verification of various hypotheses by experiment and theory
| Autor: | Mariusz Majchrzak, Karolina Rachuta, Jacek Koput, Gordon L. Hug, Bronislaw Marciniak, Malgorzata Bayda-Smykaj |
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| Rok vydání: | 2019 |
| Předmět: |
Biphenyl
chemistry.chemical_classification Materials science Silicon Transition dipole moment General Physics and Astronomy chemistry.chemical_element 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences chemistry.chemical_compound Reaction rate constant Hydrocarbon chemistry Radiative transfer Physical chemistry Singlet state Physical and Theoretical Chemistry 0210 nano-technology Acetonitrile |
| Zdroj: | Physical chemistry chemical physics : PCCP. 21(36) |
| ISSN: | 1463-9084 |
| Popis: | In the course of studying silicon modifications to improve emission properties of commonly used organic compounds, biphenyl with dimethylsilylvinyl groups in the para position (3-Si) was investigated. A comparative study was performed on the exact C-analogue (3-C) and expanded to biphenyl and dimethylbiphenyl to emphasize the general trend observed. Compound 3-Si displayed emission properties clearly different than all of the investigated hydrocarbon compounds, i.e. twice stronger fluorescence (Φf = 0.6) and a 3-times larger radiative rate constant as compared to 3-C in acetonitrile. Searching for the source of the unique emission of 3-Si, singlet and triplet processes were investigated for all of the compounds using steady-state and time-resolved methods, and their principal photophysical parameters are reported. Experimental work was supported by the theoretical predictions obtained using the EOM-CCSD method. The results led to the conclusion that the strong emission of 3-Si must be due to silicon's presence that enhanced intensity borrowing from the strongly allowed S0 → S2 transition and the larger S1 → S0 transition moment. |
| Databáze: | OpenAIRE |
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