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

Sylvain Maclot (1) , Dariusz Grzegorz Piekarski (2) , Alicja Domaracka (1) , Alain Méry (1) , Violaine Vizcaino (1) , Lamri Adoui (1) , Fernando Martín (2) , Manuel Alcamí (2) , Bernd A. Huber (1) , Patrick Rousseau (1) , Sergio Díaz-Tendero (2)

1 CIMAP - UMR 6252 - Centre de recherche sur les Ions, les MAtériaux et la Photonique
2 Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid

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.

Mots clés: Biomolecules; Fragmentation dynamics; Collision d'ions lourds

Domaines: Agrégats Moléculaires et Atomiques [physics.atm-clus]; Chimie-Physique [physics.chem-ph]

Sylvain Maclot, Dariusz Grzegorz Piekarski, Alicja Domaracka, Alain Méry, Violaine Vizcaino, et al.. Dynamics of Glycine Dications in the Gas Phase: Ultrafast Intramolecular Hydrogen Migration versus Coulomb Repulsion. Journal of Physical Chemistry Letters, 2013, 4 (22), pp.3903. ⟨10.1021/jz4020234⟩. ⟨hal-01215222⟩