Redox Switching of Magnetic Anisotropy in Copper Verdazyl Complexes

A figshare dataset by Connie Chi, last updated in April 2026, contains computational and experimental data for three copper(II) verdazyl complexes. The 4.3 KB dataset includes zero-field splitting parameters from high-frequency EPR measurements and likely contains results from DFT calculations. The data supports the study of how oxidation states influence magnetic anisotropy in these molecular systems.

Use Cases

• Modeling magnetic anisotropy based on zero-field splitting parameters (D, E/D) for different oxidation states.
• Correlating electronic structure from DFT calculations with experimental EPR measurements.
• Investigating ferromagnetic exchange coupling between copper(II) ions and radical ligands.
• Analyzing the alignment of magnetic anisotropy with Jahn-Teller distortion axes.

Strengths

• Includes specific zero-field splitting parameters (D = 4.5 cm⁻¹, E/D = 0.04 for [Cu(dipyvd)₂]⁺; D = 1.5 cm⁻¹, E/D = 0.3 for [Cu(dipyvd)₂]²⁺).
• Data is associated with a published chemical synthesis and characterization study.
• Released under a CC-BY-NC-4.0 license, permitting non-commercial reuse with attribution.

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 (4.3 KB), indicating a limited scope focused on specific molecular systems.

Provenance

Source

figshare, author Connie Chi.

Collection Method

Likely contains data from experimental high-field/high-frequency EPR measurements and DFT calculations.

Time Range

Publication date suggests data from a contemporary chemistry study.

Freshness

Last updated 2026-04-09 23:44:28

Geography

Geographic origin of the research is not specified.