Phenoxy-Benzothiadiazole Compounds: Synthesis and Optical Properties Data

Austin M. Stanley presents synthesis and characterization data for two highly fluorescent phenoxy-benzothiadiazole donor–acceptor compounds. The dataset includes measurements of quantum yields up to 84%, solvatochromic fluorescence behavior, and spectroscopic evidence of reversible oxidation to open-shell radicals. The structures of compounds 5, 6, and 7 were confirmed by X-ray crystallography.

Use Cases

• Training models to predict fluorescence quantum yields based on molecular structure features mentioned in the description
• Analyzing spectroscopic trends for solvatochromic behavior in donor-acceptor exciplex systems
• Studying the relationship between molecular structure (confirmed by X-ray crystallography) and reversible oxidation behavior

Strengths

• Includes specific quantum yield measurements up to 84%
• Contains multiple characterization methods: UV–vis spectroscopy, EPR spectroscopy, and X-ray crystallography
• Structures of key compounds (5, 6, 7) are confirmed by X-ray crystallography

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• Dataset is very small (20.8 KB), indicating limited scope

Provenance

Source

figshare

Collection Method

Synthetic chemistry and spectroscopic characterization in a laboratory setting.

Time Range

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Freshness

Last updated 2026-04-21 17:35:53; freshness should be verified

Geography

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