Ultrafast Twisting Dynamics of Thioflavin-T: Spectroscopy of the Twisted Intramolecular Charge-Transfer State

作者：Ghosh Rajib; Palit Dipak K^*

来源：ChemPhysChem, 2014, 15(18): 4126-4131.

DOI：10.1002/cphc.201402317

• charge transfer
• density functional calculations
• structure-activity relationships
• time-resolved spectroscopy
• transient absorption spectroscopy

Understanding the excited-state properties of thioflavin-T (ThT) has been of immense importance, because of its efficient amyloid-sensing ability related to neurodegenerative disorders. The excited-state dynamics of ThT is studied by using sub-picoand nanosecond time-resolved transient absorption techniques as well as density functional theory (DFT)/time-dependent DFT calculations. Barrierless twisting around the central C-C bond between two aromatic moieties is the dominant process that contributes to the ultrafast dynamics of the S-1 state. The spectroscopic properties of the intramolecular charge-transfer state are characterized for the first time. The energetics of the S-0 and S-1 states has also been correlated with the experimentally observed spectroscopic parameters and structural dynamics. A longer-lived transient state populated with a very low yield has been characterized as the triplet state.

• 出版日期2014-12-15