Investigation of Excited-State Intramolecular Proton Transfer and Structural Dynamics in Bis-Benzimidazole Derivative (BBM)

Autor:	Junhan Xie, Ziyu Wang, Ruixue Zhu, Jiaming Jiang, Tsu-Chien Weng, Yi Ren, Shuhua Han, Yifan Huang, Weimin Liu
Jazyk:	angličtina
Rok vydání:	2023
Předmět:	Inorganic Chemistry Organic Chemistry General Medicine Physical and Theoretical Chemistry excited-state intramolecular proton transfer structural dynamics transient absorption femtosecond fluorescence upconversion femtosecond stimulated Raman spectroscopy Molecular Biology Spectroscopy Catalysis Computer Science Applications
Zdroj:	International Journal of Molecular Sciences; Volume 24; Issue 11; Pages: 9438
ISSN:	1422-0067
DOI:	10.3390/ijms24119438
Popis:	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.
Databáze:	OpenAIRE
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