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  Conical-Intersection Topographies Suggest That Ribose Exhibits Enhanced UV Photostability

Tuna, D., Sobolewski, A. L., & Domcke, W. (2016). Conical-Intersection Topographies Suggest That Ribose Exhibits Enhanced UV Photostability. The Journal of Physical Chemistry B, 120(41), 10729-10735. doi:10.1021/acs.jpcb.6b09048.

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Tuna, Deniz1, Author              
Sobolewski, Andrzej L.2, Author
Domcke, Wolfgang3, Author
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1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
2Institute of Physics, Polish Academy of Sciences, 02668 Warsaw, Poland, ou_persistent22              
3Department of Chemistry, Technische Universität München, 85747 Garching, Germany, ou_persistent22              

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 Abstract: Carbohydrates are essential building blocks of life that assume a multitude of biological functions in all living organisms found on Earth. It was recently reported that ribose was identified in UV-irradiated interstellar ice analogs, which suggests that it can be found on comets and that it may have been transported to Earth via the impact of comets. Herein, we present computational results obtained with multiconfigurational ab initio quantum-chemical methods showing that various photochemical processes for radiationless deactivation are available for photoexcited ribose. These processes are driven by nσ* states and involve either O–H- or endocyclic or exocyclic C–O-bond elongation whereby a conical intersection with the electronic ground state becomes accessible. The local topography of the potential-energy surfaces around these conical intersections suggests that these intersections mediate efficient radiationless deactivation and favor regeneration of the initially photoexcited ground-state reactant. These findings indicate that ribose found in interstellar space can be expected to be highly photostable upon irradiation with UV starlight, which could be of relevance in the field of astrobiology.

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Language(s): eng - English
 Dates: 2016-09-072016-09-232016-09-232016-10-20
 Publication Status: Published in print
 Pages: 7
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/acs.jpcb.6b09048
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Title: The Journal of Physical Chemistry B
  Abbreviation : J. Phys. Chem. B
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 120 (41) Sequence Number: - Start / End Page: 10729 - 10735 Identifier: ISSN: 1520-6106
CoNE: https://pure.mpg.de/cone/journals/resource/1000000000293370_1