Double and Triple Ionisation of Isocyanic Acid

Abstract

Double and triple ionization spectra of isocyanic acid have been measured using multielectron and ion coincidence techniques combined with synchrotron radiation and compared with high-level theoretical calculations. Vertical double ionization at an energy of 32.8±0.3 eV forms the 3 A'' ground state in which the HNCO 2+ ion is long-lived. The vertical triple ionization energy is determined as 65±1 eV. The core-valence double ionization spectra resemble the valence photoelectron spectrum in form, and their main features can be understood on the basis of a simple and rather widely applicable Coulomb model based on the characteristics of the molecular orbitals from which electrons are removed. Characteristics of the most important dissociation channels are examined and discussed.

Auger electron spectroscopy of fulminic acid, HCNO: an experimental and theoretical study

“…31 Furthermore, the photofragmentation of HNCO upon soft X-ray excitation was studied. 32,33 By investigating the Auger electron spectroscopy of its isomer fulminic acid, we intend to better understand the effects of atom connectivity on the Auger-Meitner effect in molecules. Note that only a few reactive molecules have been investigated in the soft X-ray regime.…”