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Dynamics of Glycine Dications in the Gas Phase: Ultrafast Intramolecular Hydrogen Migration versus Coulomb Repulsion

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journal contribution
posted on 16.12.2015, 23:55 by Sylvain Maclot, Dariusz Grzegorz Piekarski, Alicja Domaracka, Alain Méry, Violaine Vizcaino, Lamri Adoui, Fernando Martín, Manuel Alcamí, Bernd A. Huber, Patrick Rousseau, Sergio Díaz-Tendero
We present a combined experimental and theoretical study of the complex dynamics of excited doubly ionized glycine molecules in the gas phase. Multicoincidence mass spectroscopic techniques together with ab initio molecular dynamics simulations and density functional theory calculations allow us to show that an ultrafast intramolecular hydrogen migration (∼30 fs) appears in competiton with the expected Coulomb repulsion.