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Gas phase structure and fragmentation of [Cytosine-Guanine]\(\hbox {Ag}^{+}\) complex studied by mass-resolved IRMPD spectroscopy

  • Regular Article - Molecular Physics and Chemical Physics
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Abstract

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.

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Data Availability Statement

This manuscript has associated data in a data repository. [Authors’ comment: All data included in this manuscript are available upon request by contacting the corresponding author.]

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Acknowledgements

This work has been conducted within the International Associated Laboratory LEMIR (CNRS/CONICET) and was supported by CONICET, FONCyT, SeCyT-UNC and by the EU Horizon 2020 Program (CALIPSO Plus and EU_FT-ICR_MS, under Grant numbers 730872 and 731077, respectively). The authors are grateful to the staff members at CLIO for technical support. GAP thanks the Labex PALM (ANR-10-LABX-0039-PALM) for the invited Professor Grant in 2019.

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Author notes

  1. Matias Berdakin

    Present address: Departamento de Química Teórica y Computacional, Fac. de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Pabellón Argentina, X5000HUA, Córdoba, Argentina

Authors and Affiliations

  1. INFIQC (CONICET-UNC), Ciudad Universitaria, Pabellón Argentina, 5000, Córdoba, Argentina

    Andrés F. Cruz-Ortiz, Rafael A. Jara-Toro, Matias Berdakin & Gustavo A. Pino

  2. Departamento de Fisicoquímica, Fac. de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Pabellón Argentina, X5000HUA, Córdoba, Argentina

    Andrés F. Cruz-Ortiz, Rafael A. Jara-Toro, Matias Berdakin & Gustavo A. Pino

  3. Centro Láser de Ciencias Moleculares, Universidad Nacional de Córdoba, Ciudad Universitaria, Pabellón Argentina, X5000HUA, Córdoba, Argentina

    Andrés F. Cruz-Ortiz, Rafael A. Jara-Toro, Matias Berdakin & Gustavo A. Pino

  4. Université Paris-Saclay, CNRS, Institut de Chimie Physique, 91405, Orsay, France

    Estelle Loire

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  1. Andrés F. Cruz-Ortiz
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Cruz-Ortiz, A.F., Jara-Toro, R.A., Berdakin, M. et al. Gas phase structure and fragmentation of [Cytosine-Guanine]\(\hbox {Ag}^{+}\) complex studied by mass-resolved IRMPD spectroscopy. Eur. Phys. J. D 75, 119 (2021). https://doi.org/10.1140/epjd/s10053-021-00129-0

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