Photovermellogens: Photoswitchable Acylhydrazones with Light-Triggered Basicity

A dataset from figshare, last updated on 2026-05-04, containing examples of a new class of photoswitchable molecules called photovermellogens. The data was authored by Alejandro Vila and includes results from spectroscopic and computational studies of these compounds, which exhibit a change in acidity upon light irradiation.

Use Cases

• Training models to predict pKa shifts based on molecular structure from spectroscopic data
• Analyzing the relationship between photoisomerization and basicity changes mentioned in the description
• Benchmarking computational chemistry methods against experimental spectroscopic results
• Developing control systems for light-triggered pH modulation in aqueous environments

Strengths

• Includes data from state-of-the-art spectroscopic and computational techniques as stated in the description
• Documents a significant property change with ΔpKa values > 1.5 within a biologically relevant window
• Compounds are described as synthetically straightforward and hydrolytically inert

Limitations

• Column-level documentation is absent; field semantics must be inferred after download
• Row count is unknown, which may limit suitability assessment
• Description metadata is limited; actual data quality requires manual inspection after download

Provenance

Source

figshare

Collection Method

Synthetic chemistry and subsequent spectroscopic/computational analysis

Time Range

null

Freshness

Last updated 2026-05-04 22:03:34

Geography

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