Tautomerism in porphycenes: Analysis of rate-affecting factors

Piotr Ciąćka, Piotr Fita, Arkadiusz Listkowski, Michał Kijak, Santi Nonell, Daiki Kuzuhara, Hiroko Yamada, Czesław Radzewicz, Jacek Waluk

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40 Cites (Scopus)


Double hydrogen transfer occurring in both ground and the lowest electronically excited singlet states was studied for a series of 19 differently substituted porphycenes. The rates of tautomerization have been determined using femtosecond pump-probe spectroscopy with polarized light. The values vary by over 3 orders of magnitude, suggesting the importance of tunneling. Good correlation exists between the values of the rates and the parameters characterizing the strength of two intramolecular hydrogen bonds: proton NMR shift, distance between the hydrogen-bonded nitrogen atoms, and the NH stretching frequency. While hydrogen-bond strength is the main factor determining the rate of double hydrogen transfer, other factors, such as static and dynamic symmetry breaking and the population of low-frequency vibrations also have to be taken into account.

Idioma originalAnglès
Pàgines (de-a)2292-2301
Nombre de pàgines10
RevistaJournal of Physical Chemistry B
Estat de la publicacióPublicada - 12 de febr. 2015


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