Flash Communication: Cobalt Complex for CO2 Bond Cleavage

26.9 KB of XYZ files containing structural data for a cobalt-phosphorus complex that cleaves the C–O bond in CO2. The dataset, authored by Wanqing Zuo and last updated in April 2026, includes characterization data from SCXRD, NMR, elemental analysis, and DFT calculations for the resulting dimeric complex.

Use Cases

• Modeling CO2 activation pathways based on the described cobalt-phosphorus cooperativity.
• Benchmarking DFT calculations against experimental SCXRD and NMR data for organometallic complexes.
• Studying rare examples of C–O bond cleavage in CO2 enabled by late 3d metal–ligand cooperativity.

Strengths

• Dataset includes multi-technique characterization (SCXRD, NMR, elemental analysis, DFT).
• Focuses on a rare chemical reaction: C–O bond cleavage in CO2 by a late 3d metal complex.

Limitations

• Dataset is very small (26.9 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

Experimental and computational characterization of synthesized chemical complexes.

Time Range

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Freshness

Last updated 2026-04 13:35:02; freshness should be verified.

Geography

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