Site- and Energy-Selective Low-Energy Electron Emission by X-rays in the Aqueous Phase

Data sets pertaining to the manuscript "Site- and Energy-Selective Low-Energy Electron Emission by X‑rays in the Aqueous Phase", accepted for publication at JACS (Journal of the American Chemical Society). The manuscript describes the first observation of resonant Auger-driven intermolecular Coulombic decay (RA-ICD) in liquid phase, measured in Ca2+ ions in aqueous solution. Ca 2p 3/2 → 3d Name: 189_CaCl_2p_3_2_resonance_349.05_26acc_21112023_024918 Photon energy: 349.25 eV Start time: 21.11.2023 at 02:49:18 am Total acquisition time: 273 min, 22 sec Detection window: 6400 ns Dataset: 349_25_eV_singleE_I_over_eV.txt (histogram of single electron events) First columns: total (summed up) single electron events in arb. units Second columns: kinetic energy of single electron in eV Dataset: 349_25_eV_singleE.txt (table of detected single electron events) First columns: kinetic energy of all detected single electron events in eV Dataset: 349_25_eV_EE.txt (table of detected double electron events) First columns: kinetic energy of first detected electron event in eV Second columns: kinetic energy of second detected electron event in eV Ca 2p ½ → 3d Name: 168_CaCl_2p_5_2_resonance_352.30_26acc_20112023_222548 Photon energy: 352.5 eV Start time: 20.11.2023 at 10:25:48 pm Total acquisition time: 240 min, 26 sec Detection window: 6400 ns Dataset: 352_5_eV_singleE_I_over_eV.txt (histogram of single electron events) First columns: total (summed up) single electron events in arb. units Second columns: kinetic energy of single electron in eV Dataset: 352_5_eV_singleE.txt (table of detected single electron events) First columns: kinetic energy of all detected single electron events in eV Dataset: 352_5_eV_EE.txt (table of detected double electron events) First columns: kinetic energy of first detected electron event in eV Second columns: kinetic energy of second detected electron event in eV Ca above 2p edge Name: 190_CaCl_2p_above_threshold_26acc_405_21112023_074203 Photon energy: 405 eV Start time: 21.11.2023 at 07:42:03 am Total acquisition time: 102 min, 6 sec Detection window: 6400 ns Dataset: 405_eV_singleE_I_over_eV.txt (histogram of single electron events) First columns: total (summed up) single electron events in arb. units Second columns: kinetic energy of single electron in eV Dataset: 405_eV_singleE.txt (table of detected single electron events) First columns: kinetic energy of all detected single electron events in eV Dataset: 405_eV_EE.txt (table of detected double electron events) First columns: kinetic energy of first detected electron event in eV Second columns: kinetic energy of second detected electron event in eV Experiment: Magnetic-bottle time-of-flight electron coincidence spectrometer combined with a liquid microjet and synchrotron radiation Experimental setup: MAGIQ (Magnetic bottle electron spectrometer for liquids) Working distance: 0.9 cm TOF distance: 71.5 cm Pressure main chamber: ~5 * 10-5 mbar Detector/Spectrometer voltages: Hamamatsu F14844 MCP front voltage: 30 V MCP back voltage: 1770 V Anode voltage: 2000V Retardation/acceleration: +26 V Small coil current: 3.2 A Big coil current: 2.1 A Liquid microjet: Nozzle size: 25 µm Bias: -3 V Flow rate: 0.6 – 0.8 mL/min Temperature: 4 °C Target: Name: CaCl2 (calcium chloride) CAS number: 10043-52-4 Purity: 99% Molarity: 4 M Beamline: Name: FlexPES at Max IV Operation mode: single-bunch Time spacing of two exciting pluses: 320 ns Slit: 5.4 µm Data from Figure 2 (P04 - magenta dashed line) and from Figure 3 were taken from Dupuy et al., Nat. Commun. 15, 6926 (2024), https://doi.org/10.1038/s41467-024-51417-3], reused under CC BY 4.0. Dataset: Figure_2_FlexPes.txt (total electron yield of scan over Ca 2p edges) Photon energy: 345.2 – 357.2 eV Target: 4 M CaCl2 First columns: exciting photon energy in eV Second columns: total electron yield in arb. units Delimiter: , Experimental setup: hemispherical electron analyser from FlexPES-Beamline Contact: Dana Bloß ([e-mail])