Satellite bands and the ion states of formamide

摘要: Abstract The core and valence ion states of planar formamide have been studied using a combination multi-configuration self-consistent field theory configuration mixing techniques. Emphasis is placed on the location (for states) intensity satellite or shake-up to be found in X-ray ultraviolet photoelectron spectra formamide. It concluded: (1) first state identified with ≈17.8 eV shoulder observed experimentally spectrum due simultaneous one electron ionization from 10a′ molecular orbital 2a″(π 2 ) → 3a″(π 3 * excitation. (2) lowest energy bands accompanying K-shell primary photolines for carbon, nitrogen, oxygen atom are also π excitations should appear uniformly increasing that order. Simple model explanations given calculated trends.