https://www.selleckchem.com/pr....oducts/sbi-0206965.h
In this article, we propose a new excited state dynamics mechanism for quinoline-pyrazole isomers (QP-1 and QP-2) in the liquid phase based on the time-dependent density functional theory (TD-DFT) method. The calculated potential energy curve shows that QP-2 is more likely to occur as an excited state intramolecular proton-transfer (ESIPT) process than QP-1, whereas QP-2 will occur as a twisted intramolecular charge transfer (TICT) process, which is also the main decay pathway of QP-2 fluorescence quenching. The TICT process is not
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