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Updated: Jun 11, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
The indanone N-H type excited-state intramolecular proton transfer (ESIPT); the observation of a mechanically induced
Jhu-Jyun You1, Yan-Ding Lin2, Chao-Hsien Hsu2
1Department of Chemical Engineering, Feng Chia University, 40724 Taichung, Taiwan. kyuchen@fcu.edu.tw.
Abstract:
We report the design and synthesis of indanone derivatives 1-4 with RR'N-H⋯OC intramolecular hydrogen bonds, in which ESIPT takes place and its dynamics and thermodynamics correlate with H-bond strength, facilitated by electron-withdrawing R' groups. Compound 4 (R' = COCF3) shows mechanically induced ESIPT for the first time, where -CF3⋯HN- interaction plays a key role in the non-centrosymmetric crystal packing.
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