Cyclo[25]carbon: Computational Data on Anti-Aromaticity and Electron Behavior

A dataset from figshare containing computational results for the cyclo[25]carbon molecule (C25). The data, authored by Yonggang Wu and last updated in April 2026, likely includes outputs from first-principles calculations on electronic structure, magnetic response, and thermodynamic stability. The 34.2 KB file size suggests a focused dataset.

Use Cases

• Analyzing antiaromatic character based on NICS, ACID, and ICSSzz calculations described in the study.
• Investigating phase-frustrated pi-electron behavior and ring currents in odd-membered carbon rings.
• Modeling the thermodynamic stability and excited-state transitions of cyclo[25]carbon from AIMD trajectories and absorption features.

Strengths

• Data is derived from extensive first-principles calculations as described in the source study.
• File is available in a standard, machine-readable XLSX format.
• Dataset has a clear, specific focus on the unique properties of the cyclo[25]carbon molecule.

Limitations

• Row count and column-level documentation are absent; field semantics must be inferred after download.
• The dataset is very small at 34.2 KB, indicating limited scope or a highly focused subset of results.

Provenance

Source

figshare, authored by Yonggang Wu.

Collection Method

Results from first-principles computational chemistry calculations.

Time Range

Publication date suggests data reflects research current as of 2026.

Freshness

Last updated 2026-04-22 19:34:54; freshness should be verified.

Geography

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