Squaraine Dye Properties for Gaseous Amine Sensing

Parker A. E. Mikkelsen investigated the structure-property relationships of the dye molecule bis(1,3,5-trihydroxyphenyl) squaraine (SQPH). The dataset includes single-crystal X-ray diffraction, UV-visible spectroscopy, acid-base titration, and electrochemical data, with results last updated on 2026-04 09. The work demonstrates the dye's potential as a colorimetric sensor for gaseous amines.

Use Cases

• Training models for predicting optical response based on molecular structure and solvent environment
• Analyzing correlations between crystal packing motifs and spectroscopic properties
• Developing sensor calibration models based on the reversible acid-base progression described
• Optimizing ink formulation parameters for film uniformity and robustness on flexible substrates

Strengths

• Includes multiple analytical techniques: X-ray diffraction, UV-vis spectroscopy, electrochemistry, and titration
• Demonstrates a practical application with a striking color change upon exposure to gaseous amines
• Contains CIF files (739.6 KB) for crystal structure data

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• Data may reflect methodological bias inherent to the specific experimental setup

Provenance

Source

figshare

Collection Method

Experimental data from single-crystal X-ray diffraction, spectroscopy, titration, and electrochemistry.

Time Range

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Freshness

Last updated 2026-04-09 20:14:30; freshness should be verified

Geography

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