Teitl:    Highly efficient catalytic production of oximes from ketones using in situ generated H2O2: data

Dyfyniad
Lewis RJ, Ueura K, Liu X, et al.  (2022). Highly efficient catalytic production of oximes from ketones using in situ generated H2O2: data. Cardiff University. https://doi.org/10.17035/d.2022.0163568304

Manylion y Set Ddata

Cyhoeddwr: Cardiff University

Dyddiad (y flwyddyn) pryd y daeth y data ar gael i'r cyhoedd: 2022

Fformat y data: .VMS, text, xlsx, .tif, .CVS

Meddalwedd ofynnol: The XPS data is supplied in a VAMAS (.VMS) standard spectroscopy transfer file format, which is defined in the international ISO standard 14976:1998.
The data is an ASCII based text file readable by all text editing software.

Amcangyfrif o gyfanswm maint storio'r set ddata: Less than 10 Gigabytes

DOI : 10.17035/d.2022.0163568304

DOI URL: http://doi.org/10.17035/d.2022.0163568304

Disgrifiad

Catalytic testing data including that related to the direct synthesis and subsequent degradation of H2O2 (presented as productivity units or %, as appropriate). Additional testing data related to the ammoximation of a range of ketones to the corresponding oxime via in-situ H2O2 production (presented as ketone conversion, oxime selectivity, oxime yield, H2 selectivity based on H2 and/or NH3).

All testing data is provided as excel files and it is recommended that Microsft Excel or similar graphing software, such as Origin (2019 version or newer recommended). 

Characterization of key catalytic materials or post-reaction solutions by XRD, XPS, surface area analysis. FTIR, HAADF-STEM, and corresponding XEDS are also provided. 

XRD, surface area analysis and FTIR data is provided as excel files d it is recommended that Microsft Excel or similar graphing software, such as Origin (2019 version or newer recommended). 

Images provided are bright field (BF), dark field (DF), high angle annular dark field (HAADF) secondary electron (SE), integrated differential phase contrast images (iDPC) and X-ray energy dispersion spectroscopy (XEDS)

Aberration corrected scanning transmission electron microscopy (AC-STEM) was performed using a probe-corrected Hitachi HF5000 S/TEM, operating at 200 kV. The instrument was equipped with bright field (BF) and high angle annular dark field (HAADF) detectors for high spatial resolution STEM imaging experiments. This microscope was also equipped with a secondary electron detector and dual Oxford Instruments XEDS detectors (2 x 100 mm²) having a total collection angle of 2.02 sr. Additional aberration corrected scanning transmission electron microscopy was performed using a ThermoFisher ThemisZ S/TEM, operating at 300 keV. The instrument was equipped with high angle annular dark field (HAADF) and a segmented DF4 detector for high spatial resolution for high spatial resolution STEM-HAADF and STEM-iDPC imaging experiments. The installed Super-X detector has a total area of 120 mm² and 0.7 sr solid angle.

Image data provided is in .TIF format. X-EDS spectra are provided in .CVS format.

The XPS data is supplied in a VAMAS (.VMS) standard spectroscopy transfer file format, which is defined in the international ISO standard 14976:1998.

The data is an ASCII based text file readable by all text editing software. To read and display the data as spectra, the following applications are known to read the files.

For all data analysis in the paper, CasaXPS v2.3.24PR1.0 was used and is recommended.

CasaXPS (v2.3.12 and above)

UniFit (v2003 and above)

Thermo Avantage (v5.0 and above)

Research results based upon these data are published at http://doi.org/10.1126/science.abl4822