作者: Ivan Powis , Emma E. Rennie , Uwe Hergenhahn , Oliver Kugeler , Reagan Bussy-Socrate
DOI: 10.1021/JP0266345
关键词: Synchrotron radiation 、 Chemistry 、 Atomic physics 、 Photoemission spectroscopy 、 Ionization energy 、 Ab initio 、 Spectral line 、 Valence (chemistry) 、 Ultraviolet photoelectron spectroscopy 、 Ionization
摘要: Valence and C1s core level photoelectron spectra of gaseous alanine have been recorded with synchrotron radiation. Using ab initio Green's Function calculations the vertical outer valence ionization energies CMS-Xα orbital cross-sections, it is possible to account well for features both new hν = 92 eV spectrum also its differences an earlier 21.2 spectrum. Good agreement may be achieved by considering just contribution a single molecular conformation. This agrees previous experimental findings, but conflicts which suggest that range conformations would coexist in equilibrium sample. A study amino acid threonine complements alanine, unlike latter limited effects thermal decomposition The reported peaks are assigned thre...