Substituent-sensitive fluorescence of sequentially N-alkylated tetrabenzotetraaza[8]circulenes
| Parent link: | New Journal of Chemistry Vol. 41, iss. 15.— 2017.— [P. 7621-7625] |
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| Müşterek Yazar: | |
| Diğer Yazarlar: | , , , |
| Özet: | 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 |
| Dil: | İngilizce |
| Baskı/Yayın Bilgisi: |
2017
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| Konular: | |
| Online Erişim: | http://dx.doi.org/10.1039/C7NJ01599B |
| Materyal Türü: | Elektronik Kitap Bölümü |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=655626 |
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| 200 | 1 | |a Substituent-sensitive fluorescence of sequentially N-alkylated tetrabenzotetraaza[8]circulenes |f G. V. Baryshnikov [et al.] | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 330 | |a 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. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | |t New Journal of Chemistry | ||
| 463 | |t Vol. 41, iss. 15 |v [P. 7621-7625] |d 2017 | ||
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| 701 | 1 | |a Baryshnikov |b G. V. |g Gleb Vladimirovich | |
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