Iron(-I) Complexes with NHC and Alkene Ligands: Characterization and Reactivity Data

A series of seven iron(-I) dinitrogen complexes stabilized by N-heterocyclic carbene and alkene ligands. The dataset includes characterization data from NMR, magnetic susceptibility, EPR spectroscopy, elemental analysis, and single-crystal X-ray diffraction, along with reactivity studies leading to iron(I) complexes and hydrodehalogenation products. The data was authored by Yujian Wang and last updated on March 25, 2026.

Use Cases

• Training ML models for predicting complex stability based on ligand types mentioned in the description
• Analyzing spectroscopic data trends across different N-heterocyclic carbene (NHC) ligands
• Studying structure-reactivity relationships for iron(-I) species in reductive transformations
• Benchmarking computational chemistry methods against experimental X-ray diffraction structures

Strengths

• Includes data for seven distinct iron(-I) complexes with different NHC ligands
• Characterization employs multiple techniques: 1H NMR, EPR, magnetic susceptibility, elemental analysis, and X-ray diffraction
• Reactivity studies demonstrate conversions to specific iron(I) complexes (2, 3, 4) and hydrodehalogenation capability

Limitations

• Column-level documentation is absent; field semantics must be inferred after download
• Row count is unknown, which may limit suitability assessment
• Dataset is very small at 10.4 KB, indicating limited scope

Provenance

Source

figshare

Collection Method

Experimental synthesis and characterization in a chemistry laboratory setting.

Time Range

Experimental data collection timeframe is not specified.

Freshness

Last updated 2026-03-25 17:35:36; freshness should be verified

Geography

Geographic origin of the research is not specified.