Role of the Hydrogen Bond on the Internal Conversion of Photoexcited Adenosine.


Journal

The journal of physical chemistry letters
ISSN: 1948-7185
Titre abrégé: J Phys Chem Lett
Pays: United States
ID NLM: 101526034

Informations de publication

Date de publication:
07 Jul 2022
Historique:
pubmed: 30 6 2022
medline: 9 7 2022
entrez: 29 6 2022
Statut: ppublish

Résumé

Experiments and theory have revealed that hydrogen bonds modify the excited-state lifetimes of nucleosides compared to nucleobases. Nevertheless, how these bonds impact the internal conversion is still unsettled. This work simulates the non-adiabatic dynamics of adenosine conformers in the gas phase with and without hydrogen bonds between the sugar and adenine moieties. The isomer containing the hydrogen bond (

Identifiants

pubmed: 35767744
doi: 10.1021/acs.jpclett.2c01554
doi:

Substances chimiques

Protons 0
Sugars 0
Adenine JAC85A2161
Adenosine K72T3FS567

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

6194-6199

Auteurs

Ritam Mansour (R)

Aix Marseille University, CNRS, ICR, Marseille 13397, France.

Josene M Toldo (JM)

Aix Marseille University, CNRS, ICR, Marseille 13397, France.

Mario Barbatti (M)

Aix Marseille University, CNRS, ICR, Marseille 13397, France.
Institut Universitaire de France, 75231 Paris, France.

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Classifications MeSH