Manganese Dicarbene Complexes: Steric Mapping and Catalytic Cycloisomerization Data

148.8 KB of data from a study on redox-active manganese complexes. The dataset, authored by Viani Maxwell and last updated in April 2026, includes computational and experimental results for MnI, Mn0, and Mn–I dicarbene complexes. It likely contains steric volume calculations, electrochemical simulation results, and catalytic cycloisomerization outcomes.

Use Cases

• Model steric protection of metal centers based on percent buried volume (%Vbur) data.
• Simulate electron transfer kinetics at MnI/0 redox couples using provided electrochemical data.
• Design chelating ligands for selective MnI/0/–I catalysis based on steric and reactivity patterns.
• Benchmark computational (DFT) methods against experimental values for low-valent manganese complexes.

Strengths

• Data is supported by a suite of experimental and computational methods, as described.
• Includes a steric ranking tool (%Vbur) applied to a diverse array of Mn0 complexes.
• Electrochemical simulations are reported to be in excellent agreement with experimental values.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset's 148.8 KB size suggests a limited scope of data.

Provenance

Source

figshare

Collection Method

Generated through experimental characterization and computational (DFT) methods.

Freshness

Last updated 2026-04-27 10:15:06