A dissertation dataset exploring triptycene and monkey saddle molecules as building blocks for shape-persistent organic cages via alkyne metathesis. The data includes results from catalyst screening, scrambling experiments, synthetic approaches for functionalized monkey saddles, and computational benchmarking against experimental data. The dataset was authored by Simone Felicia Ebel and last updated on 2026-04 21.
Use Cases
- Benchmarking computational methods for predicting inversion barrier heights based on experimental data described in the dissertation.
- Analyzing synthetic pathways for functionalized, conformationally stable monkey saddles based on described pre- and post-functionalization strategies.
- Investigating the antiaromatic character of planar cyclooctatetraene rings based on combined 1H NMR spectroscopy and DFT studies mentioned.
- Studying the structural properties of chiral three-dimensional architectures using the described monkey saddle building blocks.
Strengths
- Includes experimental validation via single-crystal X-ray diffraction for structural confirmation.
- Combines synthetic chemistry results with computational benchmarking, as described.
- Last updated on 2026-04-21, indicating recent maintenance.
Limitations
- Column-level documentation is absent; field semantics must be inferred after download.
- Row count and file formats are unknown, which may limit suitability assessment.
Provenance
- Source
- heiDATA Harvested Dataverse, author Simone Felicia Ebel.
- Collection Method
- Likely contains experimental and computational results from a doctoral dissertation.
- Time Range
- null
- Freshness
- Last updated 2026-04-21 14:49:05; freshness should be verified.
- Geography
- null