The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations.


Journal

The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360

Informations de publication

Date de publication:
07 Jan 2023
Historique:
entrez: 7 1 2023
pubmed: 8 1 2023
medline: 8 1 2023
Statut: ppublish

Résumé

A synchrotron-based photoionization spectrum up to 27 eV represents a considerable improvement in resolution over early He(I) and He(II) spectra. Symmetry-adapted coupled cluster calculations of the ionic state sequence give the sequence of state vertical ionization energies (VIE) as 1

Identifiants

pubmed: 36610975
doi: 10.1063/5.0128764
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

014304

Auteurs

Michael H Palmer (MH)

School of Chemistry, University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland, United Kingdom.

Marcello Coreno (M)

ISM-CNR, Instituto di Struttura della Materia, LD2 Unit, 34149 Trieste, Italy.

Monica de Simone (M)

IOM-CNR, Istituto Officina dei Materiali, Basovizza SS-14, Km 163.5, 34149 Trieste, Italy.

Cesare Grazioli (C)

IOM-CNR, Istituto Officina dei Materiali, Basovizza SS-14, Km 163.5, 34149 Trieste, Italy.

Nykola C Jones (NC)

ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK, 8000 Aarhus C, Denmark.

Søren Vrønning Hoffmann (SV)

ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK, 8000 Aarhus C, Denmark.

R Alan Aitken (RA)

School of Chemistry, University of St. Andrews, North Haugh, St. Andrews, Fife, KY16 9ST, Scotland, United Kingdom.

Dheirya K Sonecha (DK)

School of Chemistry, University of St. Andrews, North Haugh, St. Andrews, Fife, KY16 9ST, Scotland, United Kingdom.

Classifications MeSH