Ionization of glucose and ribose molecules by electron impact - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue The European Physical Journal D : Atomic, molecular, optical and plasma physics Année : 2023

Ionization of glucose and ribose molecules by electron impact

Résumé

The ionization potentials and total ionization cross sections of glucose and ribose monosaccharide molecules were measured by electron impact at energies up to 70 eV. Using two methods, Hartree-Fock (HF) and density functional theory (DFT), the structure of D- and L-forms of glucose and ribose molecules were calculated using Gaussian. The energy characteristics of the molecular orbitals (MOs) were used to calculate the summarized single ionization cross sections (CS) based on the MOs by the Binary-Encounter-Bethe (BEB) and Gryzinsky (Gryz) models. By normalizing to Gryz-DFT cross sections at thresholds, at 11 eV (Glucose) and 12.65 eV (Ribose), the absolute values of the measured total ionization cross sections of these molecules were obtained. The ionization potentials of glucose and ribose molecules were evaluated from binding HOMO MOs energies and compared with the measured values: 12.25 ± 0.25 eV (Glucose) and 10.46 ± 0.25 eV (Ribose). The contributions of the higher orbitals HOMO, HOMO-1, HOMO-2 to the Gryz-DFT cross section were evaluated.
Fichier principal
Vignette du fichier
Final_preprint.pdf (408.77 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Licence : CC BY NC ND - Paternité - Pas d'utilisation commerciale - Pas de modification

Dates et versions

hal-04265977 , version 1 (31-10-2023)

Licence

Paternité - Pas d'utilisation commerciale - Pas de modification

Identifiants

Citer

Sándor Demes, A. Zavilopulo, E. Remeta. Ionization of glucose and ribose molecules by electron impact. The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2023, 77 (10), pp.187. ⟨10.1140/epjd/s10053-023-00766-7⟩. ⟨hal-04265977⟩
35 Consultations
15 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More