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The Hidden Role of Through-Bond Energy Transfer in FRET-Dyes: A Quantum Dynamics Perspective Научная публикация

Журнал Journal of Physical Chemistry Letters
ISSN: 1948-7185
Вых. Данные Год: 2025, Том: 16, Номер: 35, Страницы: 9152–9158 Страниц : DOI: 10.1021/acs.jpclett.5c02262
Авторы Shekhovtsov Nikita A. 1 , Bushuev Mark B. 1
Организации
1 Nikolaev Institute of Inorganic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk 630090, Russia

Реферат: Energy transfer in fluorescent donor–acceptor pairs is typically governed by one of two mechanisms: Förster Resonance Energy Transfer (FRET) or Through-Bond Energy Transfer (TBET). In contrast to FRET, TBET has been widely assumed to require π-conjugation between the donor and acceptor units. In this work, we introduce a versatile strategy for simulating nonadiabatic quantum dynamics in large molecular systems and apply it to a dye CouXan featuring a coumarin donor, a xanthene acceptor and a non-π-conjugated diazinane linker. We demonstrate that strong vibronic coupling drives highly efficient TBET with a remarkable rate constant of 6.8 × 10^12 s–1 even in the absence of π-conjugation, surpassing the known FRET rate (8.0 × 10^10 s–1) by 2 orders of magnitude. This finding challenges the present understanding of energy transfer in donor–acceptor pairs and reveals that classical FRET architectures can harbor ultrafast through-bond channels of exciton deactivation.
Библиографическая ссылка: Shekhovtsov N.A. , Bushuev M.B.
The Hidden Role of Through-Bond Energy Transfer in FRET-Dyes: A Quantum Dynamics Perspective
Journal of Physical Chemistry Letters. 2025. V.16. N35. P.9152–9158. DOI: 10.1021/acs.jpclett.5c02262 WOS OpenAlex
Даты:
Поступила в редакцию: 22 июл. 2025 г.
Принята к публикации: 21 авг. 2025 г.
Опубликована online: 27 авг. 2025 г.
Опубликована в печати: 4 сент. 2025 г.
Идентификаторы БД:
Web of science: WOS:001559024200001
OpenAlex: W4413759376
Цитирование в БД: Пока нет цитирований
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