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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
Subjects: F000 - Physical sciences > F100 - Chemistry
Divisions: Faculty of Mathematics and Physical Sciences > School of Chemistry
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LocationType
http://doi.org/10.1021/acs.inorgchem.7b00699Publication
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

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