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, Max
A2 - Hooper, Reagan
A3 - Valloli, Lakshmy
A4 - Earley, Justin
A5 - Zieleniewska, Anna
A6 - Yu, Jin
A7 - DiLuzio, Stephen
A8 - Smaha, Rebecca
A9 - Rowland, Steven
A10 - Sayre, Hannah
A11 - Zhang, Xiaoyi
A12 - Bird, Matthew
A13 - Cordones, Amy
A14 - Rumbles, Garry
A15 - Reid, Obadiah
DB - Open Energy Data Initiative (OEDI)
DP - Open EI | National Laboratory of the Rockies
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, Max, 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.nlr.gov/submissions/292.
Kudisch, M., Hooper, R., Valloli, L., Earley, J., Zieleniewska, A., Yu, J., DiLuzio, S., Smaha, R., Rowland, S., Sayre, H., Zhang, X., Bird, M., Cordones, A., Rumbles, G., & Reid, O. (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.nlr.gov/submissions/292
Kudisch, Max, Reagan Hooper, Lakshmy Valloli, Justin Earley, Anna Zieleniewska, Jin Yu, Stephen DiLuzio, Rebecca Smaha, Steven Rowland, Hannah Sayre, Xiaoyi Zhang, Matthew Bird, Amy Cordones, Garry Rumbles, and Obadiah 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.nlr.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, Max and Hooper, Reagan and Valloli, Lakshmy and Earley, Justin and Zieleniewska, Anna and Yu, Jin and DiLuzio, Stephen and Smaha, Rebecca and Rowland, Steven and Sayre, Hannah and Zhang, Xiaoyi and Bird, Matthew and Cordones, Amy and Rumbles, Garry and Reid, Obadiah},
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.nlr.gov/submissions/292},
year = {2025},
howpublished = {NREL, National Renewable Energy Laboratory, https://data.nlr.gov/submissions/292},
note = {Accessed: 2026-11-13}
}
Details
Data from May 21, 2025
Last updated Mar 12, 2026
Submitted May 21, 2025
Organization
National Renewable Energy Laboratory
Contact
Max Kudisch
Authors
Max Kudisch
National Renewable Energy LaboratoryReagan Hooper
SLAC National Accelerator LaboratoryLakshmy Valloli
Brookhaven National LaboratoryJustin Earley
National Renewable Energy LaboratoryAnna Zieleniewska
National Renewable Energy LaboratoryJin Yu
Argonne National LaboratoryStephen DiLuzio
Northeastern UniversityRebecca Smaha
National Renewable Energy LaboratorySteven Rowland
National Renewable Energy LaboratoryHannah Sayre
Northeastern UniversityXiaoyi Zhang
Argonne National LaboratoryMatthew Bird
Brookhaven National LaboratoryAmy Cordones
SLAC National Accelerator LaboratoryGarry Rumbles
National Renewable Energy LaboratoryObadiah Reid
National Renewable Energy LaboratoryOriginal Source
https://data.nlr.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
