Redox Switching of Magnetic Anisotropy in Copper Verdazyl Complexes

5.0 KB of XYZ format data from figshare, authored by Connie Chi and last updated on April 9, 2026. The dataset relates to the synthesis and characterization of three copper(II) verdazyl complexes. It includes high-frequency EPR measurements and DFT calculations for the oxidized species, providing zero-field splitting parameters.

Use Cases

• Modeling magnetic anisotropy based on reported zero-field splitting parameters (D and E/D).
• Benchmarking density functional theory calculations against experimental EPR data.
• Studying redox-induced changes in molecular magnetic properties.
• Analyzing the relationship between Jahn-Teller distortion and magnetic anisotropy axes.

Strengths

• Includes specific zero-field splitting parameters (D = 4.5 cm⁻¹ and D = 1.5 cm⁻¹) for two complexes.
• Data is associated with a detailed chemical synthesis and characterization description.
• Released under a CC-BY-NC-4.0 license, allowing non-commercial reuse with attribution.

Limitations

• Dataset is very small at 5.0 KB, indicating limited scope.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Likely contains computational and experimental results from chemical synthesis and spectroscopy.

Time Range

null

Freshness

Last updated 2026-04 09 23:44:25; freshness should be verified.

Geography

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