Jinfeng Zhao

TL;DR: In this article, the authors theoretically investigated the excited state dynamical process about two imide compound N-cyclohexyl-3-hydroxyphthalimide (3HNHPI) and 3,6-Dihydroxy-N-cycloehexylphthalimides (DHNHPI), and found that the intramolecular hydrogen bonds in these two systems should be strengthening in the S1 state, which may trigger excited state intra-olecular proton transfer (ESIPT) reaction.

TL;DR: In this paper, the dynamics of the excited-state intramolecular proton-transfer (ESIPT) reaction of 10-hydroxybenzoquinoline (HBQ) in different solvents, have been investigated based on the time-dependent density functional theory (TD-DFT) in detail.

TL;DR: In this paper, the excited state proton transfer (ESPT) behavior of two novel polyimides (3H-MC and P2H-CH) was theoretically studied and elaborate.

TL;DR: In this paper, the authors explore the excited state intramolecular proton transfer (ESIPT) process and the relevant fluoride-sensing mechanism of two novel chemical systems, 2,6-dibenzothiazolylphenol (26DB) and bis-2,2,6-, bis-26DB (Bis26DB), and reveal that the strengthening of the hydrogen bonds in the excited states and the relative charge redistribution promote the ESIPT process.

TL;DR: The calculations of primary bond lengths and the IR vibrational spectra between the S0 state and the S1 state that verified the intramolecular hydrogen bond were strengthened and reproduced experimental absorbance and fluorescence emission spectra well theoretically demonstrate that the TDDFT theory is reasonable and effective.