The origin of efficient triplet state population in sulfur-substituted nucleobases

Sebastian Mai; Marvin Pollum; Lara Martínez-Fernández; Nicholas Dunn; Philipp Marquetand; Inés Corral; Carlos E. Crespo-Hernández; Leticia González

doi:10.1038/ncomms13077

Nature Communications (Oct 2016)

The origin of efficient triplet state population in sulfur-substituted nucleobases

Sebastian Mai,
Marvin Pollum,
Lara Martínez-Fernández,
Nicholas Dunn,
Philipp Marquetand,
Inés Corral,
Carlos E. Crespo-Hernández,
Leticia González

Affiliations

Sebastian Mai: Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna
Marvin Pollum: Center for Chemical Dynamics and Department of Chemistry, Case Western Reserve University
Lara Martínez-Fernández: Departamento de Química, Universidad Autónoma de Madrid
Nicholas Dunn: Center for Chemical Dynamics and Department of Chemistry, Case Western Reserve University
Philipp Marquetand: Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna
Inés Corral: Departamento de Química, Universidad Autónoma de Madrid
Carlos E. Crespo-Hernández: Center for Chemical Dynamics and Department of Chemistry, Case Western Reserve University
Leticia González: Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna

DOI: https://doi.org/10.1038/ncomms13077
Journal volume & issue: Vol. 7, no. 1
pp. 1 – 8

Abstract

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Sulfur-substituted nucleobases are promising photo- and chemotherapeutic drugs. Here, the authors unravel the electronic and structural aspects that lead to the ultrafast population of triplet states in these molecules, providing an explanation for their efficiency as photosensitizers.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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