Azobenzene is a prototype and building block of a class of molecules of extreme technological interest as molecularphoto-switches. We present a joint experimental and theoretical study of its response to irradiation with light across theUV to X-ray spectrum. The study of valence and inner shell photo-ionization and excitation processes, combined withmeasurement of valence photoelectron-photoion coincidence (PEPICO) and of mass spectra across the core thresholdsprovides a detailed insight onto the site- and state-selected photo-induced processes. Photo-ionization and excita-tion measurements are interpreted via the multi-configurational restricted active space self-consistent field (RASSCF)method corrected by second order perturbation theory (RASPT2). Using static modelling, we demonstrate that thecarbon and nitrogen K edges of Azobenzene are suitable candidates for exploring its photoinduced dynamics thanks tothe transient signals appearing in background-free regions of the NEXAFS and XPS

Electron and ion spectroscopy of Azobenzene in the valence and core shells / Carlini, Laura; Montorsi, Francesco; Wu, Yingxuan; Bolognesi, Paola; Borrego-Varillas, Rocio; Casavola, Anna Rita; Castrovilli, Mattea Carmen; Chiarinelli, Jacopo; mocci, daniele; Vismarra, Federico; Lucchini, Matteo; Nisoli, Mauro; Mukamel, Shaul; Garavelli, Marco; Richter, Robert; Nenov, Artur; Avaldi, Lorenzo. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - ELETTRONICO. - 158:(2023), pp. 1-15. [10.1063/5.0133824]

Electron and ion spectroscopy of Azobenzene in the valence and core shells

Montorsi, Francesco;Garavelli, Marco;Nenov, Artur;
2023

Abstract

Azobenzene is a prototype and building block of a class of molecules of extreme technological interest as molecularphoto-switches. We present a joint experimental and theoretical study of its response to irradiation with light across theUV to X-ray spectrum. The study of valence and inner shell photo-ionization and excitation processes, combined withmeasurement of valence photoelectron-photoion coincidence (PEPICO) and of mass spectra across the core thresholdsprovides a detailed insight onto the site- and state-selected photo-induced processes. Photo-ionization and excita-tion measurements are interpreted via the multi-configurational restricted active space self-consistent field (RASSCF)method corrected by second order perturbation theory (RASPT2). Using static modelling, we demonstrate that thecarbon and nitrogen K edges of Azobenzene are suitable candidates for exploring its photoinduced dynamics thanks tothe transient signals appearing in background-free regions of the NEXAFS and XPS
2023
Electron and ion spectroscopy of Azobenzene in the valence and core shells / Carlini, Laura; Montorsi, Francesco; Wu, Yingxuan; Bolognesi, Paola; Borrego-Varillas, Rocio; Casavola, Anna Rita; Castrovilli, Mattea Carmen; Chiarinelli, Jacopo; mocci, daniele; Vismarra, Federico; Lucchini, Matteo; Nisoli, Mauro; Mukamel, Shaul; Garavelli, Marco; Richter, Robert; Nenov, Artur; Avaldi, Lorenzo. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - ELETTRONICO. - 158:(2023), pp. 1-15. [10.1063/5.0133824]
Carlini, Laura; Montorsi, Francesco; Wu, Yingxuan; Bolognesi, Paola; Borrego-Varillas, Rocio; Casavola, Anna Rita; Castrovilli, Mattea Carmen; Chiarinelli, Jacopo; mocci, daniele; Vismarra, Federico; Lucchini, Matteo; Nisoli, Mauro; Mukamel, Shaul; Garavelli, Marco; Richter, Robert; Nenov, Artur; Avaldi, Lorenzo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/913107
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