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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
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 Mathematics 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: | http://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] |