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- Title
Ionization of glucose and ribose molecules by electron impact.
- Authors
Demes, S.; Zavilopulo, A.; Remeta, E.
- Abstract
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.
- Subjects
ELECTRON impact ionization; RIBOSE; GLUCOSE; MONOSACCHARIDES; MOLECULES; IONIZATION energy; MOLECULAR orbitals
- Publication
European Physical Journal D (EPJ D), 2023, Vol 77, Issue 10, p1
- ISSN
1434-6060
- Publication type
Article
- DOI
10.1140/epjd/s10053-023-00766-7