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- Title
Investigation of Excited-State Intramolecular Proton Transfer and Structural Dynamics in Bis-Benzimidazole Derivative (BBM).
- Authors
Xie, Junhan; Wang, Ziyu; Zhu, Ruixue; Jiang, Jiaming; Weng, Tsu-Chien; Ren, Yi; Han, Shuhua; Huang, Yifan; Liu, Weimin
- Abstract
The bis-benzimidazole derivative (BBM) molecule, consisting of two 2-(2′-hydroxyphenyl) benzimidazole (HBI) halves, has been synthesized and successfully utilized as a ratiometric fluorescence sensor for the sensitive detection of Cu2+ based on enol–keto excited-state intramolecular proton transfer (ESIPT). In this study, we strategically implement femtosecond stimulated Raman spectroscopy and several time-resolved electronic spectroscopies, aided by quantum chemical calculations to investigate the detailed primary photodynamics of the BBM molecule. The results demonstrate that the ESIPT from BBM-enol* to BBM-keto* was observed in only one of the HBI halves with a time constant of 300 fs; after that, the rotation of the dihedral angle between the two HBI halves generated a planarized BBM-keto* isomer in 3 ps, leading to a dynamic redshift of BBM-keto* emission.
- Subjects
INTRAMOLECULAR proton transfer reactions; TIME-resolved spectroscopy; PROTONS; RAMAN spectroscopy; DIHEDRAL angles; STRUCTURAL dynamics; CONFORMATIONAL analysis; ISOMERS
- Publication
International Journal of Molecular Sciences, 2023, Vol 24, Issue 11, p9438
- ISSN
1661-6596
- Publication type
Article
- DOI
10.3390/ijms24119438