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Data to support study of Iron(II) Complexes of 2,4-Dipyrazolyl-1,3,5-Triazine Derivatives ‒ the Influence of Ligand Geometry on Metal Ion Spin State
Citation
Halcrow, Malcolm A. and Capel Berdiell, Izar and Kulmaczewski, Rafał (2017) Data to support study of Iron(II) Complexes of 2,4-Dipyrazolyl-1,3,5-Triazine Derivatives ‒ the Influence of Ligand Geometry on Metal Ion Spin State. University of Leeds. [Dataset] https://doi.org/10.5518/213
Dataset description
Seven derivatives of [FeL2]2+ (L = 2,4-di{pyrazol-1-yl}-1,3,5-triazine) are all high-spin. DFT calculations imply this can be attributed to the geometry of the L ligand.
| Keywords: | iron; N-ligands; spin state; X-ray crystallography; DFT calculations | ||||||
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| Subjects: | F000 - Physical sciences > F100 - Chemistry | ||||||
| Divisions: | Faculty of Engineering and Physical Sciences > School of Chemistry | ||||||
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| License: | Creative Commons Attribution 4.0 International (CC BY 4.0) | ||||||
| Date deposited: | 11 Jul 2017 10:10 | ||||||
| URI: | https://archive.researchdata.leeds.ac.uk/id/eprint/167 | ||||||
Files
Documentation
compound naming and metadata [285kB]  |
compound naming and metadata [285kB] 
compound naming and metadata [285kB] Data
CHN microanalysis [3MB] |
Single crystal X-ray diffraction [3MB] |
Magnetic susceptibility [530kB] |
Evans method [71kB] |
NMR spectra [27MB] |
Mass spectra [2MB] |
X-ray powder diffraction [353kB] |