Substituent-sensitive fluorescence of sequentially N-alkylated tetrabenzotetraaza[8]circulenes
| Parent link: | New Journal of Chemistry Vol. 41, iss. 15.— 2017.— [P. 7621-7625] |
|---|---|
| Erakunde egilea: | |
| Beste egile batzuk: | , , , |
| Gaia: | Title screen We explore the use of substituent-sensitive balance between fluorescence and non-radiative decay as a tool for optical tuning of promising materials for organic light emitting diode applications. A series of N-butylated tetrabenzotetraaza[8]circulenes is studied computationally in order to explain the gradual decrease of fluorescence intensity with the increase of the substituent number. The inter-system crossing probability is found to increase upon the gradual substitution of the circulene macrocycle as a result of the decrease of the S1-T1 energy gap due to the deformation of the tetrabenzotetraaza[8]circulenes and therefore the distortion of the π-conjugation within the macrocycles. In contrast, the S1-T1 spin-orbit coupling matrix elements are quite insensitive to the number of outer substituents. As a result, the fluorescence-responsible ππ* transition becomes less intense and the fluorescence rate constant decreases. Режим доступа: по договору с организацией-держателем ресурса |
| Hizkuntza: | ingelesa |
| Argitaratua: |
2017
|
| Gaiak: | |
| Sarrera elektronikoa: | http://dx.doi.org/10.1039/C7NJ01599B |
| Formatua: | Baliabide elektronikoa Liburu kapitulua |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=655626 |
| Gaia: | Title screen We explore the use of substituent-sensitive balance between fluorescence and non-radiative decay as a tool for optical tuning of promising materials for organic light emitting diode applications. A series of N-butylated tetrabenzotetraaza[8]circulenes is studied computationally in order to explain the gradual decrease of fluorescence intensity with the increase of the substituent number. The inter-system crossing probability is found to increase upon the gradual substitution of the circulene macrocycle as a result of the decrease of the S1-T1 energy gap due to the deformation of the tetrabenzotetraaza[8]circulenes and therefore the distortion of the π-conjugation within the macrocycles. In contrast, the S1-T1 spin-orbit coupling matrix elements are quite insensitive to the number of outer substituents. As a result, the fluorescence-responsible ππ* transition becomes less intense and the fluorescence rate constant decreases. Режим доступа: по договору с организацией-держателем ресурса |
|---|---|
| DOI: | 10.1039/C7NJ01599B |