Substituent-sensitive fluorescence of sequentially N-alkylated tetrabenzotetraaza[8]circulenes

Substituent-sensitive fluorescence of sequentially N-alkylated tetrabenzotetraaza[8]circulenes

Bibliographic Details
Parent link:New Journal of Chemistry
Vol. 41, iss. 15.— 2017.— [P. 7621-7625]
Corporate Author: Национальный исследовательский Томский политехнический университет (ТПУ) Институт физики высоких технологий (ИФВТ) Кафедра общей химии и химической технологии (ОХХТ)
Other Authors: Baryshnikov G. V. Gleb Vladimirovich, Valiev R. R. Rashid Rinatovich, Minaev B. F. Boris Filippovich, Agren H. Hans
Summary: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
Language:English
Published: 2017
Subjects:
электронный ресурс
труды учёных ТПУ
флуоресценция
светоизлучающие диоды
нерадиационный распад
органические светодиоды
оптическая настройка
Online Access:http://dx.doi.org/10.1039/C7NJ01599B
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=655626

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