Weperformed time-resolved photoelectron spectroscopy of valence orbitals of alignedCO2 molecules using the femtosecond soft x-ray free-electron laser and the synchronized near-infrared laser. By properly ordering the individual single-shot ion images, we successfully obtained the photoelectron angular distributions (PADs) of theCO2 molecules aligned in the laboratory frame (LF). The simulations using the dipole matrix elements due to the time dependent density functional theory calculations well reproduce the experimental PADs by considering the axis distributions of the molecules. The simulations further suggest that, when the degrees of alignment can be increased up to á cos2 qñ > 0.8, themolecular geometries during photochemical reactions can be extracted fromthe measured LFPADs once the accurate matrix elements are given by the calculations.
Time-resolved photoelectron angular distributions from nonadiabatically aligned CO2 molecules with SX-FEL at SACLA
Decleva, PieroMembro del Collaboration Group
;Stener, MauroMembro del Collaboration Group
;TSURU, SHOTAMembro del Collaboration Group
;
2018-01-01
Abstract
Weperformed time-resolved photoelectron spectroscopy of valence orbitals of alignedCO2 molecules using the femtosecond soft x-ray free-electron laser and the synchronized near-infrared laser. By properly ordering the individual single-shot ion images, we successfully obtained the photoelectron angular distributions (PADs) of theCO2 molecules aligned in the laboratory frame (LF). The simulations using the dipole matrix elements due to the time dependent density functional theory calculations well reproduce the experimental PADs by considering the axis distributions of the molecules. The simulations further suggest that, when the degrees of alignment can be increased up to á cos2 qñ > 0.8, themolecular geometries during photochemical reactions can be extracted fromthe measured LFPADs once the accurate matrix elements are given by the calculations.File | Dimensione | Formato | |
---|---|---|---|
j_phys_comm2_115015.pdf
accesso aperto
Descrizione: © 2018 The Author(s). Published by IOP Publishing Ltd
Tipologia:
Documento in Versione Editoriale
Licenza:
Digital Rights Management non definito
Dimensione
535.84 kB
Formato
Adobe PDF
|
535.84 kB | Adobe PDF | Visualizza/Apri |
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.