title: Selecting core-hole localization or delocalization in CS2 by photofragmentation dynamics.
abstract: Electronic core levels in molecules are highly localized around one atomic site. However, in single-photon ionization of symmetric molecules, the question of core-hole localization versus delocalization over two equivalent atoms has long been debated as the answer lies at the heart of quantum mechanics. Here, using a joint experimental and theoretical study of core-ionized carbon disulfide (CS2), we demonstrate that it is possible to experimentally select distinct molecular-fragmentation pathways in which the core hole can be considered as either localized on one sulfur atom or delocalized between two indistinguishable sulfur atoms. This feat is accomplished by measuring photoelectron angular distributions within the frame of the molecule, directly probing entanglement or disentanglement of quantum pathways as a function of how the molecule dissociates.
authors.affiliation: 1] Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France [2] CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France.
authors.forename: R
authors.initials: R
authors.lastname: Guillemin
authors.affiliation: 1] Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, Via L. Giorgieri 1, I-34127 Trieste, Italy [2] Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali Unita' di Trieste, 34127 Trieste, Italy [3] CNR-IOM DEMOCRITOS, 34149 Trieste, Italy.
authors.forename: P
authors.initials: P
authors.lastname: Decleva
authors.affiliation: 1] Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, Via L. Giorgieri 1, I-34127 Trieste, Italy [2] Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali Unita' di Trieste, 34127 Trieste, Italy [3] CNR-IOM DEMOCRITOS, 34149 Trieste, Italy.
authors.forename: M
authors.initials: M
authors.lastname: Stener
authors.affiliation: 1] Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France [2] CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France.
authors.forename: C
authors.initials: C
authors.lastname: Bomme
authors.affiliation: 1] Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France [2] CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France.
authors.forename: T
authors.initials: T
authors.lastname: Marin
authors.affiliation: 1] Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France [2] CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France.
authors.forename: L
authors.initials: L
authors.lastname: Journel
authors.affiliation: 1] Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France [2] CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France.
authors.forename: T
authors.initials: T
authors.lastname: Marchenko
authors.affiliation: 1] Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France [2] CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France.
authors.forename: R K
authors.initials: RK
authors.lastname: Kushawaha
authors.affiliation: Department of Physics, University of Oulu, Box 3000, 90014 Oulu, Finland.
authors.forename: K
authors.initials: K
authors.lastname: Jänkälä
authors.affiliation: Synchrotron SOLEIL, l'Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex, France.
authors.forename: N
authors.initials: N
authors.lastname: Trcera
authors.affiliation: Department of Chemistry, University of Nevada, Las Vegas, Nevada 89154-4003, USA.
authors.forename: K P
authors.initials: KP
authors.lastname: Bowen
authors.affiliation: Department of Chemistry, University of Nevada, Las Vegas, Nevada 89154-4003, USA.
authors.forename: D W
authors.initials: DW
authors.lastname: Lindle
authors.affiliation: 1] Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France [2] CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France [3] Department of Physics and Astronomy, Uppsala University, PO Box 516, 75120 Uppsala, Sweden.
authors.forename: M N
authors.initials: MN
authors.lastname: Piancastelli
authors.affiliation: 1] Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France [2] CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris, France.
authors.forename: M
authors.initials: M
authors.lastname: Simon