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Updated: May 16, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
Excited-state proton coupled charge transfer modulated by molecular structure and media polarization
Alexander P Demchenko1, Kuo-Chun Tang, Pi-Tai Chou
1Palladin Institute of Biochemistry, National Academy of Sciences of Ukraine, 9 Leontovicha street, Kiev 01030, Ukraine. alexdem@ukr.net
Abstract:
Charge and proton transfer reactions in the excited states of organic dyes can be coupled in many different ways. Despite the complementarity of charges, they can occur on different time scales and in different directions of the molecular framework. In certain cases, excited-state equilibrium can be established between the charge-transfer and proton-transfer species. The interplay of these reactions can be modulated and even reversed by variations in dye molecular structures and changes of the surrounding media. With knowledge of the mechanisms of these processes, desired rates and directions can be achieved, and thus the multiple emission spectral features can be harnessed. These features have found versatile applications in a number of cutting-edge technological areas, particularly in fluorescence sensing and imaging.
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