DOI: 10.5281/zenodo.13358737
title: Site- and Energy-Selective Low-Energy Electron Emission by X-rays in the Aqueous Phase

description: 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    (dana.bloss@uni-kassel.de)