Data files associated with Nature Communications publication titled "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins."
| Name | Size | Type | Resource Description | History |
|---|---|---|---|---|
| Figure 2B.zip | 48 KB | Archive | Data .csv and plotting .py files necessary to reproduce figure 2B. | |
| Figure 2C.zip | 63 KB | Archive | 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. | |
| Figure 3A.zip | 27 KB | Archive | Transient absorption spectral and kinetic data files, and global analysis fitting data. A python script that reproduces the plots in the figure. | |
| Figure 3C.zip | 8 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| Figure 4B.zip | 19 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| Figure 4C.zip | 11 KB | Archive | Data .csv file necessary to reproduce Figure. | |
| Figure 4D.zip | 29.3 MB | Archive | Raw 1H NMR datasets making up the plot in Figure 4D. | |
| Figure 4E.zip | 94 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| Figure 5B.zip | 74 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| Figure 5C.zip | 36 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S2-3.zip | 92 KB | Archive | Raw UV-visible absorption data and figure plotting python script. | |
| S4-5.zip | 89 KB | Archive | Raw UV-visible absorption data and figure plotting python script. | |
| S6.zip | 29 KB | Archive | Raw UV-visible absorption data and figure plotting python script. | |
| S7.zip | 110 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S8.zip | 28 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S9-10.zip | 78 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S11-12.zip | 48 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S13-14.zip | 41 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S15-17.zip | 93 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S18-19.zip | 50 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S20-21.zip | 30 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S22-23.zip | 26 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S24-25.zip | 55 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S26.zip | 94 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S27-28.zip | 41 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S29-30.zip | 28 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S31.zip | 13 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S32.zip | 34 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S33.zip | 31 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S34-36.zip | 98 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S37-39.zip | 108 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S40-42.zip | 108 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S45-46.zip | 33 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S47-48.zip | 76 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S50-51.zip | 47 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S52.zip | 55 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S53.zip | 19 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S54.zip | 38 KB | Archive | Data .csv and plotting .py files necessary to reproduce Figure. | |
| S55-58.zip | 47.6 MB | Archive | Data .csv, .xlsx, .txt, .itx, and .pxp raw data files and Igor analysis files for S55-58. | |
| S59.zip | 124 KB | Archive | Data .txt and plotting .py files necessary to reproduce Figure. | |
| S60.zip | 215 KB | Archive | Data .txt and plotting .py files necessary to reproduce Figure. | |
| S61-62.zip | 217 KB | Archive | Data .txt and plotting .py files necessary to reproduce Figure. | |
| S63.zip | 371 KB | Archive | Data .xlsx file necessary to reproduce Figure. | |
| S65-85.zip | 89.2 MB | Archive | 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. | |
| S86-87.zip | 25 KB | Archive | 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. | |
| S89.zip | 10 KB | Archive | Data files (.txt) and plotting file (.py) used to make the Figure. | |
| S90-91.zip | 29 KB | Archive | 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. | |
| S92-93.zip | 39 KB | Archive | Data files (.txt) and plotting file (.py) used to make the Figures. | |
| S94-95.zip | 13 KB | Archive | Data files (.txt) and plotting file (.py) used to make the Figures. | |
| S96.zip | 45 KB | Archive | 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. | |
| S97.zip | 15 KB | Archive | 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. | |
| S98-99.zip | 28 KB | Archive | Data files (.txt) and plotting file (.py) used to make the Figures. | |
| S100-102.zip | 18 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S103-105.zip | 20 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S107.zip | 21 KB | Archive | Data files (.txt) and plotting file (.py) needed to reproduce the Figure. | |
| S108.zip | 22 KB | Archive | Data files (.txt) and plotting file (.py) needed to reproduce the Figures. | |
| S109-111.zip | 46 KB | Archive | Data files (.csv, .txt) and plotting file (.py) needed to reproduce the Figures. | |
| S112.zip | 217 KB | Archive | Data files (.csv, .dsw) and Igor plotting file (.pxp) needed to reproduce the Figures. | |
| S113.zip | 8 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S114.zip | 10 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S115.zip | 21 KB | Archive | Data files (.dat) and plotting file (.py) needed to reproduce the Figures. | |
| S115-116_Global_Fitting.zip | 394 KB | Archive | Data files (.csv) and KiMoPak fitting files (.py) needed to reproduce the Figures. | |
| S116.zip | 2 MB | Archive | Data files (.dat) needed to reproduce the Figure. | |
| S117.zip | 18 KB | Archive | Data files (.dat) and plotting file (.py) needed to reproduce the Figures. | |
| S117-120_Global_Fitting.zip | 688 KB | Archive | Data files (.csv) and KiMoPak fitting files (.py) needed to reproduce the Figures. | |
| S118.zip | 1.7 MB | Archive | Data files (.dat) needed to reproduce the Figures. | |
| S119-120.zip | 28 KB | Archive | Data files (.csv, .dat) and plotting file (.py) needed to reproduce the Figures. | |
| S121.zip | 12 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S122.zip | 10 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S123-124.zip | 17 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S125.zip | 3 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S127.zip | 12 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S129.zip | 16 KB | Archive | Data files (.dat) and plotting file (.py) needed to reproduce the Figures. | |
| S129-131_Global_Fitting.zip | 368 KB | Archive | Data files (.csv) and KiMoPak fitting files (.py) needed to reproduce the Figures. | |
| S130.zip | 1.3 MB | Archive | Data files (.dat) needed to reproduce the Figures. | |
| S131.zip | 15 KB | Archive | Data files (.dat) and plotting file (.py) needed to reproduce the Figures. | |
| S132.zip | 12 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S134.zip | 15 KB | Archive | Data files (.dat) and plotting file (.py) needed to reproduce the Figures. | |
| S134-137_Global_Fitting.zip | 298 KB | Archive | 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. | |
| S135.zip | 1.3 MB | Archive | Data files (.dat) needed to reproduce the Figures. | |
| S136-137.zip | 31 KB | Archive | Data files (.csv, .dat) and plotting file (.py) needed to reproduce the Figures. | |
| S138-139.zip | 18 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S141.zip | 38 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S143.zip | 54 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S145.zip | 8 KB | Archive | Data files (.csv) needed to reproduce the Figures. | |
| S146.zip | 14 KB | Archive | Data files (.csv) needed to reproduce the Figures. | |
| S147-148.zip | 6 KB | Archive | Data files (.csv) needed to reproduce the Figures. | |
| S149-S151.zip | 249.1 MB | Archive | Data files (.csv) and analysis/plotting files (.py) needed to reproduce the Figures. | |
| S152.zip | 66 KB | Archive | Data files (.csv) and plotting file (.py) needed to reproduce the Figures. | |
| S155-156.zip | 12 KB | Archive | Data files (.xlsx) needed to reproduce the Figures. | |
| S158-159.zip | 11 KB | Archive | Data files (.xlsx) needed to reproduce the Figures. | |
| S160-161.zip | 11 KB | Archive | Data files (.xlsx) needed to reproduce the Figures. | |
| S162-163.zip | 209 KB | Archive | X-ray crystallography (.cif) file of NiCl(C4FTol)(dtbbpy) used to visualize Figures S162-163. | |
| S165.zip | 26 KB | Archive | Data files (.csv) needed to reproduce the Figures. |
Keywords
Submitted
• May •
16
2025
National Renewable Energy Laboratory
Cite This Dataset
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. 2025. "Supporting Data for "Photolytic Activation of Ni(II)X2L Explains How Ni-Mediated Cross Coupling Begins"." NREL Data Catalog. Golden, CO: National Renewable Energy Laboratory. Last updated: May 21, 2025. DOI: 10.7799/2567514.
About This Dataset
292
10.7799/2567514
NREL/JA-5900-90703
Public
05/21/2025
DOE Project
Bio-Inspired Light-Escalated Chemistry Energy Frontier Research Center
Facilities
Materials & Chemical Science & Technology (MCS)
Funding Organization
Department of Energy (DOE)
Sponsoring Organization
USDOE Office of Science (SC)
Research Areas
Chemistry
License
View License
Digital Object Identifier
10.7799/2567514