EPR and NMR spectra upon reaction of nitrobenzene with Lewis bases
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Spectroscopic data for the characterisation of the nitrobenzenide radical anion formed upon reaction of nitrobenzene with multiple anionic organo bases. The parent folder contains two main directories with spectroscopic data. One focuses on electronic paramagnetic resonance (EPR) and the other one on nuclear magnetic resonance (NMR). EPR folder The folder structure is as follows: Base ├── Concentration│ ├── Nitrobenzene_Base_molar_ratio │ │ ├── data.DSC│ │ ├── data.DTA│ │ ├── data.txt│ │ ├── fit.DSC │ │ ├── fit.DTA │ │ └── fit.txt│ ├── Nitrobenzene_Base_Chelate_molar_ratio │ │ ├── data.DSC│ │ ├── data.DTA│ │ ├── data.txt│ │ ├── fit.DSC │ │ ├── fit.DTA │ │ └── fit.txt Where Base is the employed Lewis base to run the experiment (tBuLi, LDA, NaiPrCp, LiOtBu, NaOtBu, KOtBu, LiHMDS, NaHMDS, KHMKDS)├──Concentration is the milliMolar concentration of nitrobenzene, │ ├── Nitrobenzene_Base_molar_ratio indicates the employed molar ratio between nitrobenzene and base, and │ ├── Nitrobenzene_Base_Chelate_molar_ratio, if present, indicates the employed molar ratio between nitrobenzene, base and a ligand (222 Cryptand, 15-Crown-5, 12-Crown-4) used to chelate the alkali metal.Inside each folder, the raw *.DSC and *.DTA Bruker files are given, and if available, their fit as well.Plain text, comma separated data.txt and fit.txt files, containing magnetic field in Gauss, converted g-values and measured signal intensities, are also provided.The filenames contain the power attenuation (dB), modulation amplitude (Gauss) and number of scans used to record the data. NMR folder The folder structure is as follows: Molecule ├── Solvent│ └── Experiment Where Molecule is the investigated system, running over NaOtBu, KHMDS and nitrobenzene, as well as their mixtures,├── Solvent is the employed deuterated solvent to record the NMR, │ └── Experiment is the experiment recorded, Note that Experiment can be:10 -> Mono-dimensional 1H NMR11 -> Two-dimensional 1H DOSY20 -> Monodimensional 2H NMR



