The gas-phase ClNO molecule has been studied theoretically and experimentally by XPS (X-ray Photoelectron Spectroscopy) and NEXAFS (Near Edge X-ray Absorption Fine Structure) spectroscopy, at the Cl 2p, Cl 2s, N 1s and O 1s edges. The comparison of the measured and computed NEXAFS spectra reveal a clear localization of the LUMO (Lowest Unoccupied Molecular Orbital) along the N–O bond, suggesting that by selective core electron excitation to the LUMO, the cleavage of this bond could preferentially be activated.
Soft x-ray NEXAFS and XPS studies of nitrosyl choride
FALCINELLI, Stefano;
2015
Abstract
The gas-phase ClNO molecule has been studied theoretically and experimentally by XPS (X-ray Photoelectron Spectroscopy) and NEXAFS (Near Edge X-ray Absorption Fine Structure) spectroscopy, at the Cl 2p, Cl 2s, N 1s and O 1s edges. The comparison of the measured and computed NEXAFS spectra reveal a clear localization of the LUMO (Lowest Unoccupied Molecular Orbital) along the N–O bond, suggesting that by selective core electron excitation to the LUMO, the cleavage of this bond could preferentially be activated.File in questo prodotto:
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