Palladium-Aurone Complexes: X-ray and NMR Data for π-Stacking Analysis

Nathan A. Imgrund published experimental data on square-planar palladium complexes on May 19, 2026. The dataset includes solid-phase X-ray crystallography and solution-phase ¹H NMR data for monomeric (L1)PdCl units and free ligand (L1)H. It provides evidence for π-stacking interactions and an apparent dimerization constant of ~58 M⁻¹ derived from concentration-dependent NMR in CDCl₃.

Use Cases

• Modeling π-stacking interactions in transition-metal complexes based on X-ray crystallography data.
• Analyzing solution-phase aggregation behavior based on concentration-dependent ¹H NMR data.
• Calculating dimerization constants for self-assembling systems based on the reported K_dimer.
• Studying ligand-metal exchange effects on donor-acceptor behavior based on the comparison of free aurone and Pd-bound complexes.

Strengths

• Includes both solid-phase (X-ray) and solution-phase (NMR) experimental data for comparative analysis.
• Reports a quantitative dimerization constant (K_dimer ~58 M⁻¹) derived from NMR experiments.
• Provides a direct comparison between metal-bound complexes and free ligands to study exchange effects.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is very small (14.4 KB), indicating a limited scope of experimental observations.

Provenance

Source

figshare

Collection Method

Experimental data from X-ray crystallography and ¹H NMR spectroscopy.

Time Range

Publication date 2026-05-19.

Freshness

Last updated 2026-05-19 18:40:45; freshness should be verified

Geography

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