Tunability and selectivity of synchrotron radiation have been used to study the excitation and ionization of 2-nitroimidazole at the C, N, and O K-edges. The combination of a set of different measurements (X-ray photoelectron spectroscopy, near-edge photoabsorption spectroscopy, Resonant Auger electron spectroscopy, and mass spectrometry) and computational modeling have successfully disclosed local effects due to the chemical environment on both excitation/ionization and fragmentation of the molecule.

Core shell investigation of 2-nitroimidazole / Bolognesi, Paola; Carravetta, Vincenzo; Sementa, Luca; Barcaro, Giovanni; Monti, Susanna; Manjari Mishra, Preeti; Cartoni, Antonella; Castrovilli, Mattea C.; Chiarinelli, Jacopo; Tosic, Sanja; Marinkovic, Bratislav P.; Richter, Robert; Avaldi, Lorenzo. - In: FRONTIERS IN CHEMISTRY. - ISSN 2296-2646. - 7:(2019). [10.3389/fchem.2019.00151]

Core shell investigation of 2-nitroimidazole

Cartoni, Antonella;
2019

Abstract

Tunability and selectivity of synchrotron radiation have been used to study the excitation and ionization of 2-nitroimidazole at the C, N, and O K-edges. The combination of a set of different measurements (X-ray photoelectron spectroscopy, near-edge photoabsorption spectroscopy, Resonant Auger electron spectroscopy, and mass spectrometry) and computational modeling have successfully disclosed local effects due to the chemical environment on both excitation/ionization and fragmentation of the molecule.
2019
XPS; NEXAFS; mass spectrometry; 2-nitroimidazole; DFT; MCFCS calculations
01 Pubblicazione su rivista::01a Articolo in rivista
Core shell investigation of 2-nitroimidazole / Bolognesi, Paola; Carravetta, Vincenzo; Sementa, Luca; Barcaro, Giovanni; Monti, Susanna; Manjari Mishra, Preeti; Cartoni, Antonella; Castrovilli, Mattea C.; Chiarinelli, Jacopo; Tosic, Sanja; Marinkovic, Bratislav P.; Richter, Robert; Avaldi, Lorenzo. - In: FRONTIERS IN CHEMISTRY. - ISSN 2296-2646. - 7:(2019). [10.3389/fchem.2019.00151]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1277254
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