Tsvetina D. Cherneva, Mina M. Todorova, Rumyana I. Bakalska, Ivan G. Shterev, Ernst Horkel, Vassil B. Delchev
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Excited-state tautomerization of cytidine in water solution when exposed to UVC light
The irradiation of water solution of cytidine with UVC light showed that the compound participates in a tautomerism following the kinetics of a first-order reaction. The PIDA mechanism showed that the proton detachments in the tautomers of cytidine occur through the repulsive 1πσ* excited states and lead to conical intersections S0/S1, whose structures were optimized. More probable is the IRC mechanism, which proceeds along 1nπ* excited state reaction paths. This mechanism includes a water molecule as a catalyst, which assists the phototransformation of amino-oxo tautomer of cytidine into imino-hydroxy one.
期刊介绍：
The Journal of Physical Organic Chemistry is the foremost international journal devoted to the relationship between molecular structure and chemical reactivity in organic systems. It publishes Research Articles, Reviews and Mini Reviews based on research striving to understand the principles governing chemical structures in relation to activity and transformation with physical and mathematical rigor, using results derived from experimental and computational methods. Physical Organic Chemistry is a central and fundamental field with multiple applications in fields such as molecular recognition, supramolecular chemistry, catalysis, photochemistry, biological and material sciences, nanotechnology and surface science.
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