Investigation of the Gas-Phase Amino Acid Alanine by Synchrotron Radiation Photoelectron Spectroscopy

作者: Ivan Powis , Emma E. Rennie , Uwe Hergenhahn , Oliver Kugeler , Reagan Bussy-Socrate

DOI: 10.1021/JP0266345

关键词: Synchrotron radiationChemistryAtomic physicsPhotoemission spectroscopyIonization energyAb initioSpectral lineValence (chemistry)Ultraviolet photoelectron spectroscopyIonization

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...

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