title: Fingerprints of the hydrogen bond in the photoemission spectra of croconic acid condensed phase: an x-ray photoelectron spectroscopy and ab-initio study.
abstract: The electronic structure of Croconic Acid in the condensed phase has been studied by comparing core level and valence band x-ray photoelectron spectroscopy experiments and first principles density functional theory calculations using the Heyd-Scuseria-Ernzerhof screened hybrid functional and the GW approximation. By exploring the photoemission spectra for different deposition thicknesses, we show how the formation of the hydrogen bond network modifies the O 1s core level lineshape. Moreover, the valence band can be explained only if the intermolecular interactions are taken into account in the theoretical approach.
authors.affiliation: Dipartimento di Fisica, Università dell'Aquila, L'Aquila, Italy. federico.bisti@aquila.infn.it
authors.forename: F
authors.initials: F
authors.lastname: Bisti
authors.forename: A
authors.initials: A
authors.lastname: Stroppa
authors.forename: S
authors.initials: S
authors.lastname: Picozzi
authors.forename: L
authors.initials: L
authors.lastname: Ottaviano