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Sebastian Mai, Dr. Philipp Marquetand, Martin Richter, Dr. Jesús González-Vázquez and Prof. Dr. Leticia González Singlet and Triplet Excited-State Dynamics Study of the Keto and Enol Tautomers of Cytosine ChemPhysChem 14

Version of Record online: 25 JUL 2013 | DOI: 10.1002/cphc.201300370

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Alcohol makes you slow… The keto makes you ultrafast! The results of ab initio molecular dynamics studies on cytosine are presented, including for the first time the enol tautomer, which shows a significantly slower relaxation mechanism than the keto form (see picture). The simulations include intersystem crossing to the triplet states, which play an important role in the keto form, but seem to be less accessible in the enol tautomer.

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