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A Multicoincidence Study of Fragmentation Dynamics in Collision of γ-Aminobutyric Acid with Low-Energy Ions

Authors

  • Dr. Michael Capron,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Dr. Sergio Díaz-Tendero,

    Corresponding author
    1. Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Fax: (+34) 914975238
    • Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Fax: (+34) 914975238
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  • Sylvain Maclot,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Dr. Alicja Domaracka,

    Corresponding author
    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    • CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
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  • Elie Lattouf,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Dr. Arkadiusz Ławicki,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Dr. Rémi Maisonny,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Prof. Jean-Yves Chesnel,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Dr. Alain Méry,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Dr. Jean-Christophe Poully,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Dr. Jimmy Rangama,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Prof. Lamri Adoui,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Prof. Fernando Martín,

    1. Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Fax: (+34) 914975238
    2. Instituto Madrileño de Estudios Avanzados en Nanociencias (IMDEA-Nanociencia), Cantoblanco 28049 Madrid (Spain)
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  • Prof. Manuel Alcamí,

    1. Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Fax: (+34) 914975238
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  • Dr. Patrick Rousseau,

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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  • Prof. Bernd A. Huber

    1. CEA, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France), Fax: (+33) 231454714
    2. CNRS, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    3. ENSICAEN, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
    4. Université de Caen Basse-Normandie, UMR 6252 CIMAP, Boulevard Henri Becquerel, BP 5133, 14070 Caen cedex 5 (France)
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Abstract

Fragmentation of the γ-aminobutyric acid molecule (GABA, NH2(CH2)3COOH) following collisions with slow O6+ ions (v≈0.3 a.u.) was studied in the gas phase by a combined experimental and theoretical approach. In the experiments, a multicoincidence detection method was used to deduce the charge state of the GABA molecule before fragmentation. This is essential to unambiguously unravel the different fragmentation pathways. It was found that the molecular cations resulting from the collisions hardly survive the interaction and that the main dissociation channels correspond to formation of NH2CH2+, HCNH+, CH2CH2+, and COOH+ fragments. State-of-the-art quantum chemistry calculations allow different fragmentation mechanisms to be proposed from analysis of the relevant minima and transition states on the computed potential-energy surface. For example, the weak contribution at [M−18]+, where M is the mass of the parent ion, can be interpreted as resulting from H2O loss that follows molecular folding of the long carbon chain of the amino acid.

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