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

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.

Bibliographic Details
Main Authors:	Sebastian Mai, Marvin Pollum, Lara Martínez-Fernández, Nicholas Dunn, Philipp Marquetand, Inés Corral, Carlos E. Crespo-Hernández, Leticia González
Format:	Article
Language:	English
Published:	Nature Publishing Group 2016-10-01
Series:	Nature Communications
Online Access:	https://doi.org/10.1038/ncomms13077

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spelling	doaj-c339189a8d4e464ca93ecdb74b57c3f12021-05-11T10:35:54ZengNature Publishing GroupNature Communications2041-17232016-10-01711810.1038/ncomms13077The origin of efficient triplet state population in sulfur-substituted nucleobasesSebastian Mai0Marvin Pollum1Lara Martínez-Fernández2Nicholas Dunn3Philipp Marquetand4Inés Corral5Carlos E. Crespo-Hernández6Leticia González7Institute of Theoretical Chemistry, Faculty of Chemistry, University of ViennaCenter for Chemical Dynamics and Department of Chemistry, Case Western Reserve UniversityDepartamento de Química, Universidad Autónoma de MadridCenter for Chemical Dynamics and Department of Chemistry, Case Western Reserve UniversityInstitute of Theoretical Chemistry, Faculty of Chemistry, University of ViennaDepartamento de Química, Universidad Autónoma de MadridCenter for Chemical Dynamics and Department of Chemistry, Case Western Reserve UniversityInstitute of Theoretical Chemistry, Faculty of Chemistry, University of ViennaSulfur-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.https://doi.org/10.1038/ncomms13077
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Sebastian Mai Marvin Pollum Lara Martínez-Fernández Nicholas Dunn Philipp Marquetand Inés Corral Carlos E. Crespo-Hernández Leticia González
spellingShingle	Sebastian Mai Marvin Pollum Lara Martínez-Fernández Nicholas Dunn Philipp Marquetand Inés Corral Carlos E. Crespo-Hernández Leticia González The origin of efficient triplet state population in sulfur-substituted nucleobases Nature Communications
author_facet	Sebastian Mai Marvin Pollum Lara Martínez-Fernández Nicholas Dunn Philipp Marquetand Inés Corral Carlos E. Crespo-Hernández Leticia González
author_sort	Sebastian Mai
title	The origin of efficient triplet state population in sulfur-substituted nucleobases
title_short	The origin of efficient triplet state population in sulfur-substituted nucleobases
title_full	The origin of efficient triplet state population in sulfur-substituted nucleobases
title_fullStr	The origin of efficient triplet state population in sulfur-substituted nucleobases
title_full_unstemmed	The origin of efficient triplet state population in sulfur-substituted nucleobases
title_sort	origin of efficient triplet state population in sulfur-substituted nucleobases
publisher	Nature Publishing Group
series	Nature Communications
issn	2041-1723
publishDate	2016-10-01
description	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.
url	https://doi.org/10.1038/ncomms13077
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The origin of efficient triplet state population in sulfur-substituted nucleobases

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