Gas phase structure and fragmentation of [Cytosine-Guanine]$$\hbox {Ag}^{+}$$ complex studied by mass-resolved IRMPD spectroscopy
| Autor: | Matias Berdakin, Andrés F. Cruz-Ortiz, Gustavo A. Pino, Estelle Loire, Rafael A. Jara-Toro |
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| Jazyk: | angličtina |
| Předmět: |
Proton
Chemistry Guanine 02 engineering and technology Electronic structure 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Crystallography chemistry.chemical_compound Fragmentation (mass spectrometry) Infrared multiphoton dissociation 0210 nano-technology Spectroscopy Isomerization Cytosine |
| Zdroj: | The European Physical Journal D. 75(4) |
| ISSN: | 1434-6079 1434-6060 |
| DOI: | 10.1140/epjd/s10053-021-00129-0 |
| Popis: | The silver-mediated cytosine-guanine [CGAg] $$^{+}$$ pair was characterized by mass-resolved IRMPD spectroscopy and electronic structure calculations at the DFT level. Three fragments were observed: [GAg] $$^{+}$$ , [CAg] $$^{+}$$ and [CH] $$^{+}$$ . From the mass-resolved IRMPD spectra recorded on the mass of each fragment, two isomers of the [CGAg] $$^{+}$$ complex were identified. The most populated isomer is a Hoogsteen structure [HooAg] $$^{+}$$ between canonical cytosine (CKA(1)) and canonical guanine (GKA(9)), while the second isomer is an altered-Hoogsteen-like pair [*HooAg] $$^{+}$$ in which guanine is in a non-canonical form (GKA(7)). The determined yields of each fragment are strongly dependent of the isomer of the precursor ion because of the fragmentation energy of the different channels. Finally, the [CH] $$^{+}$$ is suggested to be produced by a metal-assisted proton transfer from guanine to cytosine preceded by an isomerization of the [HooAg] $$^{+}$$ isomer. |
| Databáze: | OpenAIRE |
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