Supporting Data for "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins"
Data files associated with Nature Communications publication titled "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins."
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce Figure.
Data .csv and plotting .py files necessary to reproduce figure 2B.
Data .csv file necessary to reproduce Figure.
Data .csv, .xlsx, .txt, .itx, and .pxp raw data files and Igor analysis files for S55-58.
Data .txt and plotting .py files necessary to reproduce Figure.
Data .txt and plotting .py files necessary to reproduce Figure.
Data .txt and plotting .py files necessary to reproduce Figure.
Data .txt files and .py plotting file necessary to reproduce Figure 2C. MATLAB EasySpin fitting script (.m) and raw Bruker EPR data files (.dsc, .dta) are included.
Data .xlsx file necessary to reproduce Figure.
Data files (.csv) and KiMoPak fitting files (.py) needed to reproduce the Figures.
Data files (.csv) and KiMoPak fitting files (.py) needed to reproduce the Figures.
Data files (.csv) and KiMoPak fitting files (.py) needed to reproduce the Figures.
Data files (.csv) and analysis/plotting files (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv) and python KiMoPak fitting files (.py) needed to reproduce the Figures. An additional folder containing KiMoPak fitting files for alternative models that were considered to fit the data. These alternative models include additional parameters but do not significantly improve the fit, so they were not chosen to fit the data as described in the Supplementary Information.
Data files (.csv) needed to reproduce the Figures.
Data files (.csv) needed to reproduce the Figures.
Data files (.csv) needed to reproduce the Figures.
Data files (.csv) needed to reproduce the Figures.
Data files (.csv, .dat) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv, .dat) and plotting file (.py) needed to reproduce the Figures.
Data files (.csv, .dsw) and Igor plotting file (.pxp) needed to reproduce the Figures.
Data files (.csv, .txt) and plotting file (.py) needed to reproduce the Figures.
Data files (.dat) and plotting file (.py) needed to reproduce the Figures.
Data files (.dat) and plotting file (.py) needed to reproduce the Figures.
Data files (.dat) and plotting file (.py) needed to reproduce the Figures.
Data files (.dat) and plotting file (.py) needed to reproduce the Figures.
Data files (.dat) and plotting file (.py) needed to reproduce the Figures.
Data files (.dat) needed to reproduce the Figure.
Data files (.dat) needed to reproduce the Figures.
Data files (.dat) needed to reproduce the Figures.
Data files (.dat) needed to reproduce the Figures.
Data files (.txt) and plotting file (.py) needed to reproduce the Figure.
Data files (.txt) and plotting file (.py) needed to reproduce the Figures.
Data files (.txt) and plotting file (.py) used to make the Figure.
Data files (.txt) and plotting file (.py) used to make the Figures.
Data files (.txt) and plotting file (.py) used to make the Figures.
Data files (.txt) and plotting file (.py) used to make the Figures.
Data files (.txt) and plotting file (.py) used to make the Figures. The MATLAB code (.m) which loads and simulates the EPR data and dependent raw Bruker files (.dsc, .dta) used to generate the .txt files are also included.
Data files (.txt) and plotting file (.py) used to make the Figures. The MATLAB code (.m) which loads and simulates the EPR data and dependent raw Bruker files (.dsc, .dta) used to generate the .txt files are also included.
Data files (.txt) and plotting file (.py) used to make the Figures. The MATLAB code (.m) which loads and simulates the EPR data and dependent raw Bruker files (.dsc, .dta) used to generate the .txt files are also included.
Data files (.txt) and plotting file (.py) used to make the Figures. The MATLAB code (.m) which loads and simulates the EPR data and dependent raw Bruker files (.dsc, .dta) used to generate the .txt files are also included.
Data files (.xlsx) needed to reproduce the Figures.
Data files (.xlsx) needed to reproduce the Figures.
Data files (.xlsx) needed to reproduce the Figures.
Folders containing 1H, 13C, and 19F, and HSQC NMR datasets visualized in figures S65-S85. Processing and plotting .mnova files are included that can be opened with MestreNova Software.
Raw 1H NMR datasets making up the plot in Figure 4D.
Raw UV-visible absorption data and figure plotting python script.
Raw UV-visible absorption data and figure plotting python script.
Raw UV-visible absorption data and figure plotting python script.
Transient absorption spectral and kinetic data files, and global analysis fitting data. A python script that reproduces the plots in the figure.
X-ray crystallography (.cif) file of NiCl(C4FTol)(dtbbpy) used to visualize Figures S162-163.
Citation Formats
TY - DATA
AB - Data files associated with Nature Communications publication titled "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins."
AU - Kudisch
A2 - Hooper
A3 - Valloli
A4 - Earley
A5 - Zieleniewska
A6 - Yu
A7 - DiLuzio
A8 - Smaha
A9 - Rowland
A10 - Sayre
A11 - Zhang
A12 - Bird
A13 - Cordones
A14 - Rumbles
A15 - Reid
DB - Open Energy Data Initiative (OEDI)
DP - Open EI | National Renewable Energy Laboratory
DO -
KW - photocatalysis
KW - nickel
KW - catalysis
LA - English
DA - 2025/05/21
PY - 2025
PB - National Renewable Energy Laboratory
T1 - Supporting Data for "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins"
UR - https://data.openei.org/submissions/8421
ER -
Kudisch, et al. Supporting Data for "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins". National Renewable Energy Laboratory, 21 May, 2025, NREL. https://data.nrel.gov/submissions/292.
Kudisch, Hooper, Valloli, Earley, Zieleniewska, Yu, DiLuzio, Smaha, Rowland, Sayre, Zhang, Bird, Cordones, Rumbles, & Reid. (2025). Supporting Data for "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins". [Data set]. NREL. National Renewable Energy Laboratory. https://data.nrel.gov/submissions/292
Kudisch, Hooper, Valloli, Earley, Zieleniewska, Yu, DiLuzio, Smaha, Rowland, Sayre, Zhang, Bird, Cordones, Rumbles, and Reid. Supporting Data for "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins". National Renewable Energy Laboratory, May, 21, 2025. Distributed by NREL. https://data.nrel.gov/submissions/292
@misc{OEDI_Dataset_8421,
title = {Supporting Data for "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins"},
author = {Kudisch and Hooper and Valloli and Earley and Zieleniewska and Yu and DiLuzio and Smaha and Rowland and Sayre and Zhang and Bird and Cordones and Rumbles and Reid},
abstractNote = {Data files associated with Nature Communications publication titled "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins."},
url = {https://data.nrel.gov/submissions/292},
year = {2025},
howpublished = {NREL, National Renewable Energy Laboratory, https://data.nrel.gov/submissions/292},
note = {Accessed: 2025-05-21}
}
Details
Data from May 21, 2025
Last updated May 22, 2025
Submitted May 21, 2025
Organization
National Renewable Energy Laboratory
Contact
Max Kudisch
Authors
Kudisch
National Renewable Energy LaboratoryHooper
SLAC National Accelerator LaboratoryValloli
Brookhaven National LaboratoryEarley
National Renewable Energy LaboratoryZieleniewska
National Renewable Energy LaboratoryYu
Argonne National LaboratoryDiLuzio
Northeastern UniversitySmaha
National Renewable Energy LaboratoryRowland
National Renewable Energy LaboratorySayre
Northeastern UniversityZhang
Argonne National LaboratoryBird
Brookhaven National LaboratoryCordones
SLAC National Accelerator LaboratoryRumbles
National Renewable Energy LaboratoryReid
National Renewable Energy LaboratoryOriginal Source
https://data.nrel.gov/submissions/292Research Areas
Keywords
photocatalysis, nickel, catalysisDOE Project Details
Project Name Bio-Inspired Light-Escalated Chemistry Energy Frontier Research Center
Project Number DE-SC0019370
