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Updated: May 11, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
Accurate determination of the ultrafast proton transfer rate in porphycene using nuclear spin relaxation
1Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland. pbernatowicz@ichf.edu.pl
Abstract:
The longitudinal (15)N relaxation rate and (15)N{(1)H} NOE enhancement were determined for porphycene in a CD2Cl2 solution. By invoking the rotational diffusion tensor of porphycene as previously determined, these data could be used to evaluate the tautomerization rate of protons in the NHN bridges. The proton transfer rate compares well to the results obtained by other authors by means of optical spectroscopy.
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