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J Am Chem Soc. 2003 Jul 9;125(27):8108-9.

Ultrafast internal conversion of excited cytosine via the lowest pipi electronic singlet state.

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1
Departamento de Química Física, Instituto de Ciencia Molecular, Universitat de València, Dr. Moliner 50, Burjassot, ES-46100 Valencia, Spain. manuela.merchan@uv.es

Abstract

Computational evidence at the CASPT2 level supports that the lowest excited state pipi* contributes to the S1/S0 crossing responsible for the ultrafast decay of singlet excited cytosine. The computed radiative lifetime, 33 ns, is consistent with the experimentally derived value, 40 ns. The nOpi* state does not play a direct role in the rapid repopulation of the ground state; it is involved in a S2/S1 crossing. Alternative mechanisms through excited states pisigma* or nNpi* are not competitive in cytosine.

PMID:
12837073
DOI:
10.1021/ja0351600
[Indexed for MEDLINE]
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